7-(1-phenylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione

• ChemBase ID: 598448
• Molecular Formular: C20H24N2O3
• Molecular Mass: 340.41616
• Monoisotopic Mass: 340.17869264
• SMILES: C12(C(=O)NC(=O)C1)CN(C(=O)C1(c3ccccc3)CCCCC1)CC2
• Canonical SMILES: O=C1NC(=O)C2(C1)CCN(C2)C(=O)C1(CCCCC1)c1ccccc1
• InChI: InChI=1S/C20H24N2O3/c23-16-13-19(17(24)21-16)11-12-22(14-19)18(25)20(9-5-2-6-10-20)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2,(H,21,23,24)
• InChIKey: LOTINDLXUYMHRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(1-phenylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
• IUPAC Traditional name: 7-(1-phenylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
• Synonyms: 7-[(1-phenylcyclohexyl)carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.110261
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0901752
• LogD (pH = 7.4): 2.0893505
• Log P: 2.0901864
• Molar Refractivity: 93.1962 cm^3
• Polarizability: 36.41936 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.59
• LOG S: -3.84
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 2