2-ethyl-8-[2-(2-fluorophenyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 672407
• Molecular Formular: C23H25FN2O2
• Molecular Mass: 380.4552032
• Monoisotopic Mass: 380.19000627
• SMILES: C(=O)(c1c(c2c(F)cccc2)cccc1)N1CCC2(CN(C(=O)C2)CC)CC1
• Canonical SMILES: CCN1CC2(CC1=O)CCN(CC2)C(=O)c1ccccc1c1ccccc1F
• InChI: InChI=1S/C23H25FN2O2/c1-2-25-16-23(15-21(25)27)11-13-26(14-12-23)22(28)19-9-4-3-7-17(19)18-8-5-6-10-20(18)24/h3-10H,2,11-16H2,1H3
• InChIKey: JHCCZEKCTDWQMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-8-[2-(2-fluorophenyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-ethyl-8-[2-(2-fluorophenyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-ethyl-8-[(2'-fluoro-2-biphenylyl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8579478
• LogD (pH = 7.4): 2.857948
• Log P: 2.857948
• Molar Refractivity: 107.5921 cm^3
• Polarizability: 41.926254 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.9
• LOG S: -4.45
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3