I-C17h19N3O6O6O6O6O6O6O6O6O6O6O6O6O6O-α -oxo- α - [(phenylmethyl) - (AICI)

I-C17h19N3O6O6O6O6O6O6O6O6O6O6O6O6O6ine, α -º- α - [(Phenylmethyl) - (AICI)

Ulwazi olusisiseko:

Thumela i-imeyile kuthi

Iinkcukacha zemveliso

Iimpawu zeMveliso

Iinkcukacha

Inombolo yeRegistry yeCas

I-944268-755-1

Iipropathi eziphambili	Ixabiso	Imeko
Ubunzima bemolekyuli	I-361.35	-
Ukuxinana (kuxelwe kwangaphambili)	1.459 ± 0.06 g / cm3	Temp: 20 ° C; Cinezela: 760 Torr
pka (ubungqina)	8.27 ± 0.10	Uninzi lwe-acidic temp: 25 ° C

Amanye amagama kunye nezikhangeli

I-Canonical iyancuma

O = c1nc (= o) n (c = c1c (= o) i-NCC = 2c = cc = cc2c (o) c3) c3

I-Ismomeric iyancuma

O = c1n ([c @@ h] 2o [c @ h] (C) (C) (o) c2) c. = cc = o) n

Intshi

I-intshi H2, (H, 18,23) (H, i-H, 19,24,25) / T12-, 13 +, 14 + / M0 / S1

Isitshixo se-Inchi

I-VBRANGAGCCCMKMKM-BFHYXA-N

Amanye amanye amagama kule nto

I-α -oxo-α - [(phenylmethyl) I-Amino] I-Amino] I-Aminiidine (AIC); (Bhu); 7: PN: WO2020081510 seqid: I-7 ibango

Iipropathi ezikhoyo
Ibhayimu
Ikhemikhali
Ukuxinana
Lipinski
Ulwakhiwo olunxulumene

Ibhayimu

Ipropathi	Ixabiso	Imeko	Umthombo
Into yebhayiloji	1.0	pl 1; Temp: 25 ° C	(1) I-ACD
Into yebhayiloji	1.0	pl 2; Temp: 25 ° C	(1) I-ACD
Into yebhayiloji	1.0	pH 3; Temp: 25 ° C	(1) I-ACD
Into yebhayiloji	1.0	pH 4; Temp: 25 ° C	(1) I-ACD
Into yebhayiloji	1.0	Ph 5; Temp: 25 ° C	(1) I-ACD
Into yebhayiloji	1.0	ph 6; Temp: 25 ° C	(1) I-ACD
Into yebhayiloji	1.0	Ph 7; Temp: 25 ° C	(1) I-ACD
Into yebhayiloji	1.0	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 18.3 ph 1; Temp: I-25 ° C (1) ACD

Koc 18.3 ph 2; Temp: I-25 ° C (1) ACD

I-Koc 18.3 Ph 3; Temp: I-25 ° C (1) ACD

I-Koc 18.3 ph 4; Temp: I-25 ° C (1) ACD

I-Koc 18.3 ph 5; Temp: I-25 ° C (1) ACD

I-Koc 18.1 Ph 6; Temp: I-25 ° C (1) ACD

I-Koc 16.4; Temp: I-25 ° C (1) ACD

I-Koc 8.56 PH 8; Temp: I-25 ° C (1) ACD

Koc 1.62 PH 9; Temp: I-25 ° C (1) ACD

I-koc 1.0 Ph 10; Temp: I-25 ° C (1) ACD

I-LOGD -0.21 pl 1; Temp: I-25 ° C (1) ACD

I-LOGD -0.21 ph 2; Temp: I-25 ° C (1) ACD

Ipropathi	Ixabiso	Imeko	Umthombo
Ngena	-0.21	pH 3; Temp: 25 ° C	(1) I-ACD
Ngena	-0.21	pH 4; Temp: 25 ° C	(1) I-ACD
Ngena	-0.21	Ph 5; Temp: 25 ° C	(1) I-ACD
Ngena	-0.22	ph 6; Temp: 25 ° C	(1) I-ACD
Ngena	-0.26	Ph 7; Temp: 25 ° C	(1) I-ACD
Ngena	-0.54	pH 8; Temp: 25 ° C	(1) I-ACD
Ngena	-1.26	PH 9; Temp: 25 ° C	(1) I-ACD
Ngena	-1.95	Ph 10; Temp: 25 ° C	(1) I-ACD
I-LOGP	-0.212 ± 0.585	Temp: 25 ° C	(1) I-ACD
I-Mass Intrinsic Solince	I-0.13 g / l	Temp: 25 ° C	(1) I-ACD
I-Mass Solity	I-0.13 g / l	pl 1; Temp: 25 ° C	(1) I-ACD
I-Mass Solity	I-0.13 g / l	pl 2; Temp: 25 ° C	(1) I-ACD
I-Mass Solity	I-0.13 g / l	pH 3; Temp: 25 ° C	(1) I-ACD
I-Mass Solity	I-0.13 g / l	pH 4; Temp: 25 ° C	(1) I-ACD
I-Mass Solity	I-0.13 g / l	Ph 5; Temp: 25 ° C	(1) I-ACD
I-Mass Solity	I-0.14 g / l	ph 6; Temp: 25 ° C	(1) I-ACD
I-Mass Solity	I-0.15 g / l	Ph 7; Temp: 25 ° C	(1) I-ACD
I-Mass Solity	I-0.29 g / l	pH 8; Temp: 25 ° C	(1) I-ACD
I-Mass Solity	1.5 g / l	PH 9; Temp: 25 ° C	(1) I-ACD
I-Mass Solity	7.2 g / l	Ph 10; Temp: 25 ° C	(1) I-ACD
I-Mass Solity	I-0.14 g / l	AMANZI AMANZI AMANZI PH 5.68; Temp: 25 ° C	(1) I-ACD
I-Molar Intrinsic Solin	I-3.7 x 10-4 mol / l	Temp: 25 ° C	(1) I-ACD
I-Molar Solity	I-3.7 x 10-4 mol / l	pl 1; Temp: 25 ° C	(1) I-ACD
I-Molar Solity	I-3.7 x 10-4 mol / l	pl 2; Temp: 25 ° C	(1) I-ACD
I-Molar Solity	I-3.7 x 10-4 mol / l	pH 3; Temp: 25 ° C	(1) I-ACD
I-Molar Solity	I-3.7 x 10-4 mol / l	pH 4; Temp: 25 ° C	(1) I-ACD
I-Molar Solity	I-3.7 x 10-4 mol / l	Ph 5; Temp: 25 ° C	(1) I-ACD
I-Molar Solity	I-3.8 x 10-4 mol / l	ph 6; Temp: 25 ° C	(1) I-ACD
I-Molar Solity	4.2 x 10-4 mol / l	Ph 7; Temp: 25 ° C	(1) I-ACD
I-Molar Solity	8.0 x 10-4 mol / l	pH 8; Temp: 25 ° C	(1) I-ACD
I-Molar Solity	4.2 X 10-3 mol / l	PH 9; Temp: 25 ° C	(1) I-ACD
I-Molar Solity	I-0.020 mol / l	Ph 10; Temp: 25 ° C	(1) I-ACD

Ipropathi	Ixabiso	Imeko	Umthombo
I-Molar Solity	I-3.8 x 10-4 mol / l	AMANZI AMANZI AMANZI PH 5.68; Temp: 25 ° C	(1) I-ACD
Ubunzima bemolekyuli	I-361.35
pka	8.27 ± 0.10	Uninzi lwe-acidic temp: 25 ° C	(1) I-ACD
pka	-1.66 ± 0.20	Uninzi lwe-temp olusisiseko: i-25 ° C	(1) I-ACD

Ukuxinana

Ipropathi	Ixabiso	Imeko	Umthombo
Ukuxinana	1.459 ± 0.06 g / cm3	Temp: 20 ° C; Cinezela: 760 Torr	(1) I-ACD
Umthamo we-mola	I-247.5 ± 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	-0.212 ± 0.585	Temp: 25 ° C	(1) I-ACD
Ubunzima bemolekyuli	I-361.35