BRN 0894709

5-[2-(dimethylamino)ethyl]-3-methyl-11H-benzo[b][1,4]benzodiazepin-6-one

CAS: 1668-68-4

Molecular Formula	`C18H21N3O`
Molecular Weight	295.4 g/mol
LogP	3.0
Topological Polar Surface Area	35.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	295.16846
Heavy Atoms	22
Complexity	398.0

Chemical Identifiers

CAS Number	1668-68-4
SMILES	`CC1=CC2=C(C=C1)NC3=CC=CC=C3C(=O)N2CCN(C)C`
InChIKey	`NILIPHMATMTDJX-UHFFFAOYSA-N`

📖 Product Overview

BRN 0894709 (CAS: 1668-68-4) is a chemical compound with molecular formula C18H21N3O and molecular weight 295.4 g/mol. Its IUPAC systematic name is 5-[2-(dimethylamino)ethyl]-3-methyl-11H-benzo[b][1,4]benzodiazepin-6-one. LogP 3.0 Topological Polar Surface Area 35.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 295.16846 Heavy Atoms 22 Complexity 398.0 InChI Key: NILIPHMATMTDJX-UHFFFAOYSA-N. SMILES: CC1=CC2=C(C=C1)NC3=CC=CC=C3C(=O)N2CCN(C)C.

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