8-benzoyl-2-[(2E)-3-phenylprop-2-en-1-yl]-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 632726
• Molecular Formular: C24H26N2O2
• Molecular Mass: 374.47544
• Monoisotopic Mass: 374.19942808
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)c1ccccc1)CC2)C/C=C/c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)N1CCC2(CC1)CN(C(=O)C2)C/C=C/c1ccccc1
• InChI: InChI=1S/C24H26N2O2/c27-22-18-24(19-26(22)15-7-10-20-8-3-1-4-9-20)13-16-25(17-14-24)23(28)21-11-5-2-6-12-21/h1-12H,13-19H2/b10-7+
• InChIKey: QSCIYFNJUSYNRD-JXMROGBWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-benzoyl-2-[(2E)-3-phenylprop-2-en-1-yl]-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-benzoyl-2-[(2E)-3-phenylprop-2-en-1-yl]-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-benzoyl-2-[(2E)-3-phenyl-2-propen-1-yl]-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0456011
• LogD (pH = 7.4): 3.0456016
• Log P: 3.0456016
• Molar Refractivity: 112.4221 cm^3
• Polarizability: 42.60313 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.79
• LOG S: -4.31
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4