BRN 0897637

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

CAS: 1163-28-6

Molecular Formula	`C18H21N3OS`
Molecular Weight	327.4 g/mol
LogP	3.1
Topological Polar Surface Area	60.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	327.14053
Heavy Atoms	23
Complexity	417.0

Chemical Identifiers

CAS Number	1163-28-6
SMILES	`CN(C)CCN1C2=C(C=C(C=C2)SC)NC3=CC=CC=C3C1=O`
InChIKey	`AETRUJSDQSYGEQ-UHFFFAOYSA-N`

📖 Product Overview

BRN 0897637 (CAS: 1163-28-6) is a chemical compound with molecular formula C18H21N3OS and molecular weight 327.4 g/mol. Its IUPAC systematic name is 5-[2-(dimethylamino)ethyl]-2-methylsulfanyl-11H-benzo[b][1,4]benzodiazepin-6-one. LogP 3.1 Topological Polar Surface Area 60.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 327.14053 Heavy Atoms 23 Complexity 417.0 InChI Key: AETRUJSDQSYGEQ-UHFFFAOYSA-N. SMILES: CN(C)CCN1C2=C(C=C(C=C2)SC)NC3=CC=CC=C3C1=O.

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