8-(2-fluorobenzoyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 538498
• Molecular Formular: C24H27FN2O2
• Molecular Mass: 394.4817832
• Monoisotopic Mass: 394.20565633
• SMILES: C(=O)(c1c(F)cccc1)N1CCC2(CN(C(=O)C2)CCCc2ccccc2)CC1
• Canonical SMILES: O=C1CC2(CN1CCCc1ccccc1)CCN(CC2)C(=O)c1ccccc1F
• InChI: InChI=1S/C24H27FN2O2/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/h1-5,7-8,10-11H,6,9,12-18H2
• InChIKey: JPCFZVBPHPQHAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-fluorobenzoyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(2-fluorobenzoyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(2-fluorobenzoyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3116174
• LogD (pH = 7.4): 3.3116179
• Log P: 3.3116179
• Molar Refractivity: 111.6759 cm^3
• Polarizability: 42.417564 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.66
• LOG S: -4.35
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5