C21h21N3O6O6O6O6O6O6O6O, α - ((1-naphthanylmethyl) - α-(i-AI)

C21h21N3O6O6O6O6O6o6ine, α - ((1-Naphthanylmethyl) I-Amino] - α-(Aci)

Ulwazi olusisiseko:

Thumela i-imeyile kuthi

Iinkcukacha zemveliso

Iimpawu zeMveliso

Iinkcukacha

Inombolo yeRegistry yeCas

1262015-90-6-6

Iipropathi eziphambili	Ixabiso	Imeko
Ubunzima bemolekyuli	411.41	-
Ukuxinana (kuxelwe kwangaphambili)	1.460 ± 0.06 g / cm3	Temp: 20 ° C; Cinezela: 760 Torr
pka (ubungqina)	8.23 ± 0.10	Uninzi lwe-acidic temp: 25 ° C

Amanye amagama kunye nezikhangeli

I-Canonical iyancuma

O = c1nc (= o) n (c = c1c (= o) NCC2 = cc = cc = cc = cc32 cc22 c4oc (o) c4oc (o) c4oc (o) C4

I-Ismomeric iyancuma

O = c1n (c = c (c (nc) 2c3 = c (cc2) [c.) [c) (CO) (o) (o)

Intshi

I-Inchi = 1s / c21h21N3O6 / C25-17 (20) 20-16 (12) 13 / h1- 7,10,16,16,25-26h, 8-9,13h2, (H, (H, (H, i-H, i-18,29), 18 +

Isitshixo se-Inchi

I-UdHOSZAWIHGGGTB-RCCFBDPRSA-N

Amanye amanye amagama kule nto

α - [(1-Naphthanylmethyl) I-Amino] - α -idine (AIC); (I-NAPDO); I-87: Pn: WO2020081510 seqid: I-87 ye-87 I-Bango

Iipropathi ezikhoyo
Ibhayimu
Ikhemikhali
Ukuxinana
Lipinski
Ulwakhiwo olunxulumene

Ibhayimu

Ipropathi	Ixabiso	Imeko	Umthombo
Into yebhayiloji	3.23	pl 1; Temp: 25 ° C	(1) I-ACD
Into yebhayiloji	3.23	pl 2; Temp: 25 ° C	(1) I-ACD
Into yebhayiloji	3.23	pH 3; Temp: 25 ° C	(1) I-ACD
Into yebhayiloji	3.23	pH 4; Temp: 25 ° C	(1) I-ACD
Into yebhayiloji	3.23	Ph 5; Temp: 25 ° C	(1) I-ACD
Into yebhayiloji	3.19	ph 6; Temp: 25 ° C	(1) I-ACD
Into yebhayiloji	2.85	Ph 7; Temp: 25 ° C	(1) I-ACD
Into yebhayiloji	1.40	pH 8; Temp: 25 ° C	(1) I-ACD
Into yebhayiloji	1.0	PH 9; Temp: 25 ° C	(1) I-ACD
Into yebhayiloji	1.0	Ph 10; Temp: 25 ° C	(1) I-ACD

Ikhemikhali

Imeko yexabiso lePropathi

I-Koc 80.5 ph 1; Temp: I-25 ° C (1) ACD

I-Koc 80.5 ph 2; Temp: I-25 ° C (1) ACD

I-Koc 80.5 ph 3; Temp: I-25 ° C (1) ACD

I-Koc 80.5 ph 4; Temp: I-25 ° C (1) ACD

I-Koc 80.4 Ph 5; Temp: I-25 ° C (1) ACD

I-Koc 79.5 ph 6; Temp: I-25 ° C (1) ACD

Koc 71.1 Ph 7; Temp: I-25 ° C (1) ACD

I-Koc 34.9 ph 8; Temp: I-25 ° C (1) ACD

I-KoC 6.35 ye-PH 9; Temp: I-25 ° C (1) ACD

I-Koc 1.39 ph 10; Temp: I-25 ° C (1) ACD

Ngena 0.97 pl 1; Temp: I-25 ° C (1) ACD

Ngena 0.97 pl 2; Temp: I-25 ° C (1) ACD

Ipropathi	Ixabiso	Imeko	Umthombo
Ngena	0.97	pH 3; Temp: 25 ° C	(1) I-ACD
Ngena	0.97	pH 4; Temp: 25 ° C	(1) I-ACD
Ngena	0.97	Ph 5; Temp: 25 ° C	(1) I-ACD
Ngena	0.97	ph 6; Temp: 25 ° C	(1) I-ACD
Ngena	0.92	Ph 7; Temp: 25 ° C	(1) I-ACD
Ngena	0.61	pH 8; Temp: 25 ° C	(1) I-ACD
Ngena	-0.13	PH 9; Temp: 25 ° C	(1) I-ACD
Ngena	-0.79	Ph 10; Temp: 25 ° C	(1) I-ACD
I-LOGP	I-0.973 ± 0.586	Temp: 25 ° C	(1) I-ACD
I-Mass Intrinsic Solince	5.3 x 10-3 g / l	Temp: 25 ° C	(1) I-ACD
I-Mass Solity	5.3 x 10-3 g / l	pl 1; Temp: 25 ° C	(1) I-ACD
I-Mass Solity	5.3 x 10-3 g / l	pl 2; Temp: 25 ° C	(1) I-ACD
I-Mass Solity	5.3 x 10-3 g / l	pH 3; Temp: 25 ° C	(1) I-ACD
I-Mass Solity	5.3 x 10-3 g / l	pH 4; Temp: 25 ° C	(1) I-ACD
I-Mass Solity	5.3 x 10-3 g / l	Ph 5; Temp: 25 ° C	(1) I-ACD
I-Mass Solity	5.3 x 10-3 g / l	ph 6; Temp: 25 ° C	(1) I-ACD
I-Mass Solity	5.8 x 10-3 g / l	Ph 7; Temp: 25 ° C	(1) I-ACD
I-Mass Solity	I-0.012 g / l	pH 8; Temp: 25 ° C	(1) I-ACD
I-Mass Solity	I-0.066 g / l	PH 9; Temp: 25 ° C	(1) I-ACD
I-Mass Solity	I-0.30 g / l	Ph 10; Temp: 25 ° C	(1) I-ACD
I-Mass Solity	5.3 x 10-3 g / l	AMANZI AMANZI AMANZI PH 6.37; Temp: 25 ° C	(1) I-ACD
I-Molar Intrinsic Solin	1.3 x 10-5 mol / l	Temp: 25 ° C	(1) I-ACD
I-Molar Solity	1.3 x 10-5 mol / l	pl 1; Temp: 25 ° C	(1) I-ACD
I-Molar Solity	1.3 x 10-5 mol / l	pl 2; Temp: 25 ° C	(1) I-ACD
I-Molar Solity	1.3 x 10-5 mol / l	pH 3; Temp: 25 ° C	(1) I-ACD
I-Molar Solity	1.3 x 10-5 mol / l	pH 4; Temp: 25 ° C	(1) I-ACD
I-Molar Solity	1.3 x 10-5 mol / l	Ph 5; Temp: 25 ° C	(1) I-ACD
I-Molar Solity	1.3 x 10-5 mol / l	ph 6; Temp: 25 ° C	(1) I-ACD
I-Molar Solity	1.4 x 10-5 mol / l	Ph 7; Temp: 25 ° C	(1) I-ACD
I-Molar Solity	2.9 x 10-5 mol / l	pH 8; Temp: 25 ° C	(1) I-ACD
I-Molar Solity	1.6 x 10-4 mol / l	PH 9; Temp: 25 ° C	(1) I-ACD
I-Molar Solity	7.4 x 10-4 mol / l	Ph 10; Temp: 25 ° C	(1) I-ACD

Ipropathi	Ixabiso	Imeko	Umthombo
I-Molar Solity	1.3 x 10-5 mol / l	AMANZI AMANZI AMANZI PH 6.37; Temp: 25 ° C	(1) I-ACD
Ubunzima bemolekyuli	411.41
pka	8.23 ± 0.10	Uninzi lwe-acidic temp: 25 ° C	(1) I-ACD
pka	-1.90 ± 0.20	Uninzi lwe-temp olusisiseko: i-25 ° C	(1) I-ACD

Ukuxinana

Ipropathi	Ixabiso	Imeko	Umthombo
Ukuxinana	1.460 ± 0.06 g / cm3	Temp: 20 ° C; Cinezela: 760 Torr	(1) I-ACD
Umthamo we-mola	281.6 ± 3.0 cm3 / mol	Temp: 20 ° C; Cinezela: 760 Torr	(1) I-ACD

Lipinski

Ipropathi	Ixabiso	Imeko	Umthombo
I-Bonds ejikelezayo	7		(1) I-ACD
I-H Acceptors	9		(1) I-ACD
H abanikeli	4		(1) I-ACD
H umxhasi / i-acceptor sum	13		(1) I-ACD
I-LOGP	I-0.973 ± 0.586	Temp: 25 ° C	(1) I-ACD
Ubunzima bemolekyuli	411.41