BRN 0896434

5-[2-(dimethylamino)ethyl]-9-methoxy-11H-benzo[b][1,4]benzodiazepin-6-one

CAS: 3910-27-8

Molecular Formula	`C18H21N3O2`
Molecular Weight	311.4 g/mol
LogP	2.6
Topological Polar Surface Area	44.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	311.1634
Heavy Atoms	23
Complexity	415.0

Chemical Identifiers

CAS Number	3910-27-8
SMILES	`CN(C)CCN1C2=CC=CC=C2NC3=C(C1=O)C=CC(=C3)OC`
InChIKey	`QBBXYGIYHGHEKF-UHFFFAOYSA-N`

📖 Product Overview

BRN 0896434 (CAS: 3910-27-8) is a chemical compound with molecular formula C18H21N3O2 and molecular weight 311.4 g/mol. Its IUPAC systematic name is 5-[2-(dimethylamino)ethyl]-9-methoxy-11H-benzo[b][1,4]benzodiazepin-6-one. LogP 2.6 Topological Polar Surface Area 44.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 311.1634 Heavy Atoms 23 Complexity 415.0 InChI Key: QBBXYGIYHGHEKF-UHFFFAOYSA-N. SMILES: CN(C)CCN1C2=CC=CC=C2NC3=C(C1=O)C=CC(=C3)OC.

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