7-[(2-fluorophenyl)methyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 534549
• Molecular Formular: C23H27FN2O
• Molecular Mass: 366.4716832
• Monoisotopic Mass: 366.21074171
• SMILES: C12(C(=O)N(Cc3c(F)cccc3)CCC2)CN(CC1)CCc1ccccc1
• Canonical SMILES: Fc1ccccc1CN1CCCC2(C1=O)CCN(C2)CCc1ccccc1
• InChI: InChI=1S/C23H27FN2O/c24-21-10-5-4-9-20(21)17-26-14-6-12-23(22(26)27)13-16-25(18-23)15-11-19-7-2-1-3-8-19/h1-5,7-10H,6,11-18H2
• InChIKey: GSDRAPYQHCTHMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2-fluorophenyl)methyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-[(2-fluorophenyl)methyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2-fluorobenzyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.560004
• LogD (pH = 7.4): 1.44774
• Log P: 4.022388
• Molar Refractivity: 106.7976 cm^3
• Polarizability: 41.02723 Å^3
• Polar Surface Area: 23.55 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: 3.93
• LOG S: -3.89
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5