Compound C26H25ClN2O2

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

CAS: 82802-91-3

Molecular Formula	`C26H25ClN2O2`
Molecular Weight	432.9 g/mol
LogP	5.6
Topological Polar Surface Area	34.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	432.16046
Heavy Atoms	31
Complexity	649.0

Chemical Identifiers

CAS Number	82802-91-3
SMILES	`CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C4C5=CC(=C(C=C5CCN4C2)OC)OC`
InChIKey	`KYERHVMBMFQSFC-UHFFFAOYSA-N`

📖 Product Overview

Compound C26H25ClN2O2 (CAS: 82802-91-3) is a chemical compound with molecular formula C26H25ClN2O2 and molecular weight 432.9 g/mol. Its IUPAC systematic name is 3-chloro-12,13-dimethoxy-6-(4-methylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine. LogP 5.6 Topological Polar Surface Area 34.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 432.16046 Heavy Atoms 31 Complexity 649.0 InChI Key: KYERHVMBMFQSFC-UHFFFAOYSA-N. SMILES: CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C4C5=CC(=C(C=C5CCN4C2)OC)OC.

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