8-[2-(2-fluorophenyl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 791536
• Molecular Formular: C22H23FN2O2
• Molecular Mass: 366.4286232
• Monoisotopic Mass: 366.17435621
• SMILES: C1(=O)NC2(CC1c1ccccc1)CCN(C(=O)Cc1c(F)cccc1)CC2
• Canonical SMILES: O=C1NC2(CC1c1ccccc1)CCN(CC2)C(=O)Cc1ccccc1F
• InChI: InChI=1S/C22H23FN2O2/c23-19-9-5-4-8-17(19)14-20(26)25-12-10-22(11-13-25)15-18(21(27)24-22)16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,24,27)
• InChIKey: YUJNYYIMFPYIKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[2-(2-fluorophenyl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-[2-(2-fluorophenyl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(2-fluorophenyl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.5338955
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2516918
• LogD (pH = 7.4): 2.2516916
• Log P: 2.2516918
• Molar Refractivity: 101.4776 cm^3
• Polarizability: 38.949875 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.99
• LOG S: -3.57
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3