BRN 0712218

3-chloro-12,13-dimethoxy-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one

CAS: 82802-88-8

Molecular Formula	`C19H19ClN2O3`
Molecular Weight	358.8 g/mol
LogP	3.0
Topological Polar Surface Area	50.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	358.10843
Heavy Atoms	25
Complexity	505.0

Chemical Identifiers

CAS Number	82802-88-8
SMILES	`COC1=C(C=C2C3C4=C(C=C(C=C4)Cl)NC(=O)CN3CCC2=C1)OC`
InChIKey	`VTYQCFUJOKUXOX-UHFFFAOYSA-N`

📖 Product Overview

BRN 0712218 (CAS: 82802-88-8) is a chemical compound with molecular formula C19H19ClN2O3 and molecular weight 358.8 g/mol. Its IUPAC systematic name is 3-chloro-12,13-dimethoxy-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one. LogP 3.0 Topological Polar Surface Area 50.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 358.10843 Heavy Atoms 25 Complexity 505.0 InChI Key: VTYQCFUJOKUXOX-UHFFFAOYSA-N. SMILES: COC1=C(C=C2C3C4=C(C=C(C=C4)Cl)NC(=O)CN3CCC2=C1)OC.

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