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

• ChemBase ID: 340715
• Molecular Formular: C20H27F3N2O
• Molecular Mass: 368.4363896
• Monoisotopic Mass: 368.20754815
• SMILES: N1(C(=O)CC2(C1)CCN(CC2)CCCCCF)Cc1cc(cc(c1)F)F
• Canonical SMILES: FCCCCCN1CCC2(CC1)CC(=O)N(C2)Cc1cc(F)cc(c1)F
• InChI: InChI=1S/C20H27F3N2O/c21-6-2-1-3-7-24-8-4-20(5-9-24)13-19(26)25(15-20)14-16-10-17(22)12-18(23)11-16/h10-12H,1-9,13-15H2
• InChIKey: LXNLARXQISGECW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3,5-difluorophenyl)methyl]-8-(5-fluoropentyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-[(3,5-difluorophenyl)methyl]-8-(5-fluoropentyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-(3,5-difluorobenzyl)-8-(5-fluoropentyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.4842821
• LogD (pH = 7.4): 0.89943564
• Log P: 2.862902
• Molar Refractivity: 96.3058 cm^3
• Polarizability: 36.465435 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.43
• LOG S: -4.82
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 7