BRN 0900768

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

CAS: 1168-11-2

Molecular Formula	`C18H18F3N3O`
Molecular Weight	349.3 g/mol
LogP	3.5
Topological Polar Surface Area	35.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	349.1402
Heavy Atoms	25
Complexity	483.0

Chemical Identifiers

CAS Number	1168-11-2
SMILES	`CN(C)CCN1C2=C(C=CC(=C2)C(F)(F)F)NC3=CC=CC=C3C1=O`
InChIKey	`NUMLEZZJLDPKGR-UHFFFAOYSA-N`

📖 Product Overview

BRN 0900768 (CAS: 1168-11-2) is a chemical compound with molecular formula C18H18F3N3O and molecular weight 349.3 g/mol. Its IUPAC systematic name is 5-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-one. LogP 3.5 Topological Polar Surface Area 35.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 3 Exact Mass 349.1402 Heavy Atoms 25 Complexity 483.0 InChI Key: NUMLEZZJLDPKGR-UHFFFAOYSA-N. SMILES: CN(C)CCN1C2=C(C=CC(=C2)C(F)(F)F)NC3=CC=CC=C3C1=O.

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