Compound C16H12F3N3O

4-amino-1-phenyl-8-(trifluoromethyl)-3H-1,5-benzodiazepin-2-one

CAS: 36985-35-0

Molecular Formula	`C16H12F3N3O`
Molecular Weight	319.28 g/mol
LogP	2.5
Topological Polar Surface Area	58.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	319.09326
Heavy Atoms	23
Complexity	485.0

Chemical Identifiers

CAS Number	36985-35-0
SMILES	`C1C(=NC2=C(C=C(C=C2)C(F)(F)F)N(C1=O)C3=CC=CC=C3)N`
InChIKey	`VRAXKPZRHYDZFB-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H12F3N3O (CAS: 36985-35-0) is a chemical compound with molecular formula C16H12F3N3O and molecular weight 319.28 g/mol. Its IUPAC systematic name is 4-amino-1-phenyl-8-(trifluoromethyl)-3H-1,5-benzodiazepin-2-one. LogP 2.5 Topological Polar Surface Area 58.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 1 Exact Mass 319.09326 Heavy Atoms 23 Complexity 485.0 InChI Key: VRAXKPZRHYDZFB-UHFFFAOYSA-N. SMILES: C1C(=NC2=C(C=C(C=C2)C(F)(F)F)N(C1=O)C3=CC=CC=C3)N.

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