2-[(3,5-difluorophenyl)methyl]-8-(oxan-4-yl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 680081
• Molecular Formular: C20H26F2N2O2
• Molecular Mass: 364.4294464
• Monoisotopic Mass: 364.19623452
• SMILES: N1(C(=O)CC2(C1)CCN(C1CCOCC1)CC2)Cc1cc(cc(c1)F)F
• Canonical SMILES: Fc1cc(cc(c1)F)CN1CC2(CC1=O)CCN(CC2)C1CCOCC1
• InChI: InChI=1S/C20H26F2N2O2/c21-16-9-15(10-17(22)11-16)13-24-14-20(12-19(24)25)3-5-23(6-4-20)18-1-7-26-8-2-18/h9-11,18H,1-8,12-14H2
• InChIKey: GXCCYFZWUPJTCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3,5-difluorophenyl)methyl]-8-(oxan-4-yl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-[(3,5-difluorophenyl)methyl]-8-(oxan-4-yl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-(3,5-difluorobenzyl)-8-(tetrahydro-2H-pyran-4-yl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.825606
• LogD (pH = 7.4): -0.70115966
• Log P: 1.6012073
• Molar Refractivity: 96.0701 cm^3
• Polarizability: 36.71912 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.93
• LOG S: -5.21
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3