ChemSpider 2D Image | 1-{4-[(1E)-N-{[4-Cyclohexyl-3-(trifluoromethyl)benzyl]oxy}ethanimidoyl]-2-methylbenzyl}-3-azetidinecarboxylic acid | C28H33F3N2O3

1-{4-[(1E)-N-{[4-Cyclohexyl-3-(trifluoromethyl)benzyl]oxy}ethanimidoyl]-2-methylbenzyl}-3-azetidinecarboxylic acid

  • Molecular FormulaC28H33F3N2O3
  • Average mass502.568 Da
  • Monoisotopic mass502.244324 Da
  • ChemSpider ID29415427

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-{4-[(1E)-N-{[4-Cyclohexyl-3-(trifluormethyl)benzyl]oxy}ethanimidoyl]-2-methylbenzyl}-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
1-{4-[(1E)-N-{[4-Cyclohexyl-3-(trifluoromethyl)benzyl]oxy}ethanimidoyl]-2-methylbenzyl}-3-azetidinecarboxylic acid [ACD/IUPAC Name]
3-Azetidinecarboxylic acid, 1-[[4-[(1E)-1-[[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]imino]ethyl]-2-methylphenyl]methyl]- [ACD/Index Name]
Acide 1-{4-[(1E)-N-{[4-cyclohexyl-3-(trifluorométhyl)benzyl]oxy}ethanimidoyl]-2-méthylbenzyl}-3-azétidinecarboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 598.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 315.8±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 131.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 114.09
ACD/KOC (pH 5.5): 201.37
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 112.39
ACD/KOC (pH 7.4): 198.38
Polar Surface Area: 62 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 40.2±7.0 dyne/cm
Molar Volume: 397.6±7.0 cm3

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