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

• ChemBase ID: 562752
• Molecular Formular: C19H27F3N2O
• Molecular Mass: 356.4256896
• Monoisotopic Mass: 356.20754815
• SMILES: C(c1c(CN2CC3(CN(CCC3)CCOC)CC2)cccc1)(F)(F)F
• Canonical SMILES: COCCN1CCCC2(C1)CCN(C2)Cc1ccccc1C(F)(F)F
• InChI: InChI=1S/C19H27F3N2O/c1-25-12-11-23-9-4-7-18(14-23)8-10-24(15-18)13-16-5-2-3-6-17(16)19(20,21)22/h2-3,5-6H,4,7-15H2,1H3
• InChIKey: ZOOMWBZDPDNZNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4780909
• LogD (pH = 7.4): 1.1136473
• Log P: 3.2932978
• Molar Refractivity: 94.3995 cm^3
• Polarizability: 35.67825 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.97
• LOG S: -1.81
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 4