8-[(2,5-difluorophenyl)methyl]-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 387728
• Molecular Formular: C22H23F3N2O2
• Molecular Mass: 404.4254296
• Monoisotopic Mass: 404.17116265
• SMILES: N1(C2(CCN(Cc3c(ccc(c3)F)F)CC2)CCC1=O)OCc1c(F)cccc1
• Canonical SMILES: Fc1ccc(c(c1)CN1CCC2(CC1)CCC(=O)N2OCc1ccccc1F)F
• InChI: InChI=1S/C22H23F3N2O2/c23-18-5-6-20(25)17(13-18)14-26-11-9-22(10-12-26)8-7-21(28)27(22)29-15-16-3-1-2-4-19(16)24/h1-6,13H,7-12,14-15H2
• InChIKey: NAHINVFLXNVSHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(2,5-difluorophenyl)methyl]-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-[(2,5-difluorophenyl)methyl]-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(2,5-difluorobenzyl)-1-[(2-fluorobenzyl)oxy]-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8982496
• LogD (pH = 7.4): 3.4011621
• Log P: 3.6227965
• Molar Refractivity: 103.7199 cm^3
• Polarizability: 39.36558 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.23
• LOG S: -4.91
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5