7-(cyclopropylmethyl)-2-{[2-(trifluoromethyl)phenyl]methyl}-2,7-diazaspiro[4.5]decane

• ChemBase ID: 694377
• Molecular Formular: C20H27F3N2
• Molecular Mass: 352.4369896
• Monoisotopic Mass: 352.21263353
• SMILES: C(c1c(CN2CC3(CN(CC4CC4)CCC3)CC2)cccc1)(F)(F)F
• Canonical SMILES: FC(c1ccccc1CN1CCC2(C1)CCCN(C2)CC1CC1)(F)F
• InChI: InChI=1S/C20H27F3N2/c21-20(22,23)18-5-2-1-4-17(18)13-25-11-9-19(15-25)8-3-10-24(14-19)12-16-6-7-16/h1-2,4-5,16H,3,6-15H2
• InChIKey: AHYINEREZOIBCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-{[2-(trifluoromethyl)phenyl]methyl}-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-{[2-(trifluoromethyl)phenyl]methyl}-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(cyclopropylmethyl)-2-[2-(trifluoromethyl)benzyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.79365456
• LogD (pH = 7.4): 1.2401246
• Log P: 4.1208506
• Molar Refractivity: 95.298 cm^3
• Polarizability: 36.06481 Å^3
• Polar Surface Area: 6.48 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: 4.75
• LOG S: -2.97
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4