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

• ChemBase ID: 400412
• Molecular Formular: C24H25FN2O2
• Molecular Mass: 392.4659032
• Monoisotopic Mass: 392.19000627
• SMILES: C(=O)(c1c(F)cccc1)N1CCC2(CN(C(=O)C2)C/C=C/c2ccccc2)CC1
• Canonical SMILES: O=C1CC2(CN1C/C=C/c1ccccc1)CCN(CC2)C(=O)c1ccccc1F
• InChI: InChI=1S/C24H25FN2O2/c25-21-11-5-4-10-20(21)23(29)26-15-12-24(13-16-26)17-22(28)27(18-24)14-6-9-19-7-2-1-3-8-19/h1-11H,12-18H2/b9-6+
• InChIKey: ZIPJPXSMRHVXPT-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-fluorobenzoyl)-2-[(2E)-3-phenylprop-2-en-1-yl]-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(2-fluorobenzoyl)-2-[(2E)-3-phenylprop-2-en-1-yl]-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(2-fluorobenzoyl)-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): 3.1883032
• LogD (pH = 7.4): 3.1883037
• Log P: 3.1883037
• Molar Refractivity: 112.6385 cm^3
• Polarizability: 42.24759 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: 2.42
• LOG S: -4.13
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4