(3S)-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

CAS: 50691-94-6

Molecular Formula	`C24H18ClN3O`
Molecular Weight	399.9 g/mol
LogP	5.0
Topological Polar Surface Area	57.3 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	2
Rotatable Bonds	3
Exact Mass	399.11383
Heavy Atoms	29
Complexity	632.0

Chemical Identifiers

CAS Number	50691-94-6
SMILES	`C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)CC4=CNC5=CC=CC=C54`
InChIKey	`OAAIQFQHSUFGKD-QFIPXVFZSA-N`

📖 Product Overview

(3S)-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CAS: 50691-94-6) is a chemical compound with molecular formula C24H18ClN3O and molecular weight 399.9 g/mol. Its IUPAC systematic name is (3S)-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one. LogP 5.0 Topological Polar Surface Area 57.3 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 2 Rotatable Bonds 3 Exact Mass 399.11383 Heavy Atoms 29 Complexity 632.0 InChI Key: OAAIQFQHSUFGKD-QFIPXVFZSA-N. SMILES: C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)CC4=CNC5=CC=CC=C54.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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