4-(2-hydroxybenzoyl)-1-(2-phenylphenyl)piperazin-2-one

• ChemBase ID: 689605
• Molecular Formular: C23H20N2O3
• Molecular Mass: 372.4165
• Monoisotopic Mass: 372.14739251
• SMILES: N1(C(=O)CN(C(=O)c2c(O)cccc2)CC1)c1c(c2ccccc2)cccc1
• Canonical SMILES: O=C1CN(CCN1c1ccccc1c1ccccc1)C(=O)c1ccccc1O
• InChI: InChI=1S/C23H20N2O3/c26-21-13-7-5-11-19(21)23(28)24-14-15-25(22(27)16-24)20-12-6-4-10-18(20)17-8-2-1-3-9-17/h1-13,26H,14-16H2
• InChIKey: RDIZSMPMMQFWSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-hydroxybenzoyl)-1-(2-phenylphenyl)piperazin-2-one
• IUPAC Traditional name: 4-(2-hydroxybenzoyl)-1-(2-phenylphenyl)piperazin-2-one
• Synonyms: 1-(2-biphenylyl)-4-(2-hydroxybenzoyl)-2-piperazinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.1681595
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.8688
• LogD (pH = 7.4): 3.8018684
• Log P: 3.8697245
• Molar Refractivity: 107.5557 cm^3
• Polarizability: 42.152126 Å^3
• Polar Surface Area: 60.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.92
• LOG S: -3.83
• Polar Surface Area: 60.85 Å^2
• Rotatable Bonds: 3