1-[6-(4-methoxyphenyl)-7-oxo-6,9-diazaspiro[4.5]decan-9-yl]-2-phenylethane-1,2-dione

• ChemBase ID: 821254
• Molecular Formular: C23H24N2O4
• Molecular Mass: 392.44766
• Monoisotopic Mass: 392.17360726
• SMILES: N1(C(=O)C(=O)c2ccccc2)CC(=O)N(C2(C1)CCCC2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)N1C(=O)CN(CC21CCCC2)C(=O)C(=O)c1ccccc1
• InChI: InChI=1S/C23H24N2O4/c1-29-19-11-9-18(10-12-19)25-20(26)15-24(16-23(25)13-5-6-14-23)22(28)21(27)17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-16H2,1H3
• InChIKey: YJHAVAYJYBSREG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[6-(4-methoxyphenyl)-7-oxo-6,9-diazaspiro[4.5]decan-9-yl]-2-phenylethane-1,2-dione
• IUPAC Traditional name: 1-[6-(4-methoxyphenyl)-7-oxo-6,9-diazaspiro[4.5]decan-9-yl]-2-phenylethane-1,2-dione
• Synonyms: 6-(4-methoxyphenyl)-9-[oxo(phenyl)acetyl]-6,9-diazaspiro[4.5]decan-7-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.245495
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8565226
• LogD (pH = 7.4): 2.8565226
• Log P: 2.8565226
• Molar Refractivity: 108.1461 cm^3
• Polarizability: 41.85487 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.43
• LOG S: -3.08
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 3