8-(2-phenylbenzoyl)-5H,6H,7H,8H,9H-imidazo[1,5-a][1,4]diazepine

• ChemBase ID: 856103
• Molecular Formular: C20H19N3O
• Molecular Mass: 317.38436
• Monoisotopic Mass: 317.15281224
• SMILES: C(=O)(N1Cc2n(cnc2)CCC1)c1c(c2ccccc2)cccc1
• Canonical SMILES: O=C(c1ccccc1c1ccccc1)N1CCCn2c(C1)cnc2
• InChI: InChI=1S/C20H19N3O/c24-20(22-11-6-12-23-15-21-13-17(23)14-22)19-10-5-4-9-18(19)16-7-2-1-3-8-16/h1-5,7-10,13,15H,6,11-12,14H2
• InChIKey: IJAYPOPYCKAVSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-phenylbenzoyl)-5H,6H,7H,8H,9H-imidazo[1,5-a][1,4]diazepine
• IUPAC Traditional name: 8-(2-phenylbenzoyl)-5H,6H,7H,9H-imidazo[1,5-a][1,4]diazepine
• Synonyms: 8-(biphenyl-2-ylcarbonyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0814812
• LogD (pH = 7.4): 2.524111
• Log P: 2.5565786
• Molar Refractivity: 95.304 cm^3
• Polarizability: 37.188324 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.44
• LOG S: -2.74
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 2