BRN 0634078

2-chloro-12,13-dimethoxy-6-(4-phenylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine

CAS: 62206-01-3

Molecular Formula	`C31H27ClN2O2`
Molecular Weight	495.0 g/mol
LogP	6.9
Topological Polar Surface Area	34.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	494.17612
Heavy Atoms	36
Complexity	762.0

Chemical Identifiers

CAS Number	62206-01-3
SMILES	`COC1=C(C=C2C3C4=C(C=CC(=C4)Cl)N=C(CN3CCC2=C1)C5=CC=C(C=C5)C6=CC=CC=C6)OC`
InChIKey	`QWAGTWRYZAUENB-UHFFFAOYSA-N`

📖 Product Overview

BRN 0634078 (CAS: 62206-01-3) is a chemical compound with molecular formula C31H27ClN2O2 and molecular weight 495.0 g/mol. Its IUPAC systematic name is 2-chloro-12,13-dimethoxy-6-(4-phenylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine. LogP 6.9 Topological Polar Surface Area 34.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 494.17612 Heavy Atoms 36 Complexity 762.0 InChI Key: QWAGTWRYZAUENB-UHFFFAOYSA-N. SMILES: COC1=C(C=C2C3C4=C(C=CC(=C4)Cl)N=C(CN3CCC2=C1)C5=CC=C(C=C5)C6=CC=CC=C6)OC.

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