BRN 0632603

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

CAS: 62206-00-2

Molecular Formula	`C25H23ClN2O2`
Molecular Weight	418.9 g/mol
LogP	5.3
Topological Polar Surface Area	34.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	418.1448
Heavy Atoms	30
Complexity	622.0

Chemical Identifiers

CAS Number	62206-00-2
SMILES	`COC1=C(C=C2C3C4=C(C=CC(=C4)Cl)N=C(CN3CCC2=C1)C5=CC=CC=C5)OC`
InChIKey	`JGKYITUCSFGHGO-UHFFFAOYSA-N`

📖 Product Overview

BRN 0632603 (CAS: 62206-00-2) is a chemical compound with molecular formula C25H23ClN2O2 and molecular weight 418.9 g/mol. Its IUPAC systematic name is 2-chloro-12,13-dimethoxy-6-phenyl-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine. LogP 5.3 Topological Polar Surface Area 34.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 418.1448 Heavy Atoms 30 Complexity 622.0 InChI Key: JGKYITUCSFGHGO-UHFFFAOYSA-N. SMILES: COC1=C(C=C2C3C4=C(C=CC(=C4)Cl)N=C(CN3CCC2=C1)C5=CC=CC=C5)OC.

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