2-[2-(4-phenylphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 648723
• Molecular Formular: C22H24N2O2
• Molecular Mass: 348.43816
• Monoisotopic Mass: 348.18377802
• SMILES: C12(C(=O)NCCC2)CN(C(=O)Cc2ccc(c3ccccc3)cc2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCNC2=O)Cc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C22H24N2O2/c25-20(24-14-12-22(16-24)11-4-13-23-21(22)26)15-17-7-9-19(10-8-17)18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2,(H,23,26)
• InChIKey: CZGDLSJLKUOHEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(4-phenylphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[2-(4-phenylphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(biphenyl-4-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3
• H Acceptors: 2
• H Donor: 1
• Log P: 2.21
• LOG S: -3.63

JChem

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 14.523393
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6268618
• LogD (pH = 7.4): 2.626862
• Log P: 2.626862
• Molar Refractivity: 101.8336 cm^3
• Polarizability: 40.671455 Å^3
• Polar Surface Area: 49.41 Å^2