2-(7-bromo-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetohydrazide

• ChemBase ID: 179809
• Molecular Formular: C17H15BrN4O2
• Molecular Mass: 387.2306
• Monoisotopic Mass: 386.03783774
• SMILES: N1(c2c(C(=NCC1=O)c1ccccc1)cc(cc2)Br)CC(=O)NN
• Canonical SMILES: NNC(=O)CN1C(=O)CN=C(c2c1ccc(c2)Br)c1ccccc1
• InChI: InChI=1S/C17H15BrN4O2/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)20-9-16(24)22(14)10-15(23)21-19/h1-8H,9-10,19H2,(H,21,23)
• InChIKey: XLGCMZLSEXRBSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(7-bromo-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetohydrazide
• IUPAC Traditional name: 2-(7-bromo-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetohydrazide
• Synonyms: Gidazepam

Database IDs

• CAS Number: 129186-29-4
• PubChem SID: 164235719
• PubChem CID: 121919

CALCULATED PROPERTIES

• Acid pKa: 11.572047
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6133171
• LogD (pH = 7.4): 1.6153076
• Log P: 1.6153595
• Molar Refractivity: 95.0208 cm^3
• Polarizability: 35.728924 Å^3
• Polar Surface Area: 87.79 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Mechanism of Action: Benzodiazepine receptor agonist

Product Information

• Application(s): Possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties; Psychosedative; Tranquilizer