(3S)-7-Chloro-3-isopropyl-5-phenyl-1,3-dihydrobenzo(e)(1,4)diazepin-2-one

HCID 39762

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Basic information

CAS: 50691-96-8
Standard SMILES: CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O
InChIKey: GIUZMTLJQCHDOJ-INIZCTEOSA-N
Molecular formula: C18H17ClN2O
Average molar mass: 312.8 g/mol
Monoisotopic mass: 312.1029409

Names & identifiers

Preferred name: (3S)-7-Chloro-3-isopropyl-5-phenyl-1,3-dihydrobenzo(e)(1,4)diazepin-2-one
IUPAC: (3S)-7-chloro-5-phenyl-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one

Names & synonyms

50691-96-8RefChem:1050304(3S)-7-Chloro-3-isopropyl-5-phenyl-1,3-dihydrobenzo(e)(1,4)diazepin-2-oneCHEMBL4204548(S)-1,3-Dihydro-7-chloro-3-(1-methylethyl)-5-phenyl-2H-1,4-benzodiazepin-2-one2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-(1-methylethyl)-5-phenyl-, (S)-SCHEMBL21272219DTXSID50964926BDBM504524257-Chloro-5-phenyl-3-(propan-2-yl)-3H-1,4-benzodiazepin-2-ol(3S)-7-Chloro-5-phenyl-3-(propan-2-yl)-3H-1,4-benzodiazepin-2-ol

Database identifiers

CAS: 50691-96-8
PubChem CID: 39762
DTXSID: DTXSID50964926
ChEMBL: CHEMBL4204548
Nikkaji: J1.157.197B

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 41.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 442

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