2-[(3,5-difluorophenyl)methyl]-8-{2-[ethyl(methyl)amino]acetyl}-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 403484
• Molecular Formular: C20H27F2N3O2
• Molecular Mass: 379.4440864
• Monoisotopic Mass: 379.20713356
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)CN(CC)C)CC2)Cc1cc(cc(c1)F)F
• Canonical SMILES: CCN(CC(=O)N1CCC2(CC1)CC(=O)N(C2)Cc1cc(F)cc(c1)F)C
• InChI: InChI=1S/C20H27F2N3O2/c1-3-23(2)13-19(27)24-6-4-20(5-7-24)11-18(26)25(14-20)12-15-8-16(21)10-17(22)9-15/h8-10H,3-7,11-14H2,1-2H3
• InChIKey: CYXXIANKYAKZEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3,5-difluorophenyl)methyl]-8-{2-[ethyl(methyl)amino]acetyl}-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-[(3,5-difluorophenyl)methyl]-8-{2-[ethyl(methyl)amino]acetyl}-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-(3,5-difluorobenzyl)-8-(N-ethyl-N-methylglycyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.1399211
• LogD (pH = 7.4): 0.58557117
• Log P: 1.1152219
• Molar Refractivity: 100.0434 cm^3
• Polarizability: 37.97927 Å^3
• Polar Surface Area: 43.86 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: 2.01
• LOG S: -3.68
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 5