Compound C25H22BrClN2O2

6-(4-bromophenyl)-3-chloro-12,13-dimethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine

CAS: 82802-90-2

Molecular Formula	`C25H22BrClN2O2`
Molecular Weight	497.8 g/mol
LogP	6.0
Topological Polar Surface Area	34.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	496.05533
Heavy Atoms	31
Complexity	655.0

Chemical Identifiers

CAS Number	82802-90-2
SMILES	`COC1=C(C=C2C3C4=C(C=C(C=C4)Cl)N=C(CN3CCC2=C1)C5=CC=C(C=C5)Br)OC`
InChIKey	`OBTKTJQZOARFME-UHFFFAOYSA-N`

📖 Product Overview

Compound C25H22BrClN2O2 (CAS: 82802-90-2) is a chemical compound with molecular formula C25H22BrClN2O2 and molecular weight 497.8 g/mol. Its IUPAC systematic name is 6-(4-bromophenyl)-3-chloro-12,13-dimethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine. LogP 6.0 Topological Polar Surface Area 34.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 496.05533 Heavy Atoms 31 Complexity 655.0 InChI Key: OBTKTJQZOARFME-UHFFFAOYSA-N. SMILES: COC1=C(C=C2C3C4=C(C=C(C=C4)Cl)N=C(CN3CCC2=C1)C5=CC=C(C=C5)Br)OC.

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