CAS 308242-23-1

Materialized properties

Density:

1.52±0.1 g/cm3(Predicted)

Boiling point:

545.3±50.0 °C(Predicted)

PSA：

80.65000

logP：

2.52900

Acidity coefficient (PKA):

11.15±0.70(Predicted)

English alias

(S)-Methyl 3-(7-bromo-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)propanoate1H-1,4-Benzodiazepine-3-propanoic acid, 7-bromo-2,3-dihydro-2-oxo-5-(2- pyridinyl)-, methyl ester, (3S)-(3S)-(7-BroMo-2-oxo-5-pyridin-2-yl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-propionic acid Methyl esterMethyl 3-[(3S)-7-bromo-2-oxo-5-(2- pyridinyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]propanoate

CAS

308242-23-1

Inchi

InChI=1S/C18H16BrN3O3/c1-25-16(23)8-7-15-18(24)22-13-6-5-11(19)10-12(13)17(21-15)14-4-2-3-9-20-14/h2-6,9-10,15H,7-8H2,1H3,(H,22,24)/t15-/m0/s1

InChIkey

PITXBYGUVDYTBQ-HNNXBMFYSA-N

Canonical Smiles

COC(=O)CC[C@H]1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3

Internationalization joint naming

methyl 3-[(3S)-7-bromo-2-oxo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoate