ChemSpider 2D Image | 1-Benzyl-N-[4-(methylsulfanyl)-1-oxo-1-{[3-(trifluoromethyl)benzyl]amino}-2-butanyl]-4-piperidinecarboxamide | C26H32F3N3O2S

1-Benzyl-N-[4-(methylsulfanyl)-1-oxo-1-{[3-(trifluoromethyl)benzyl]amino}-2-butanyl]-4-piperidinecarboxamide

  • Molecular FormulaC26H32F3N3O2S
  • Average mass507.611 Da
  • Monoisotopic mass507.216736 Da
  • ChemSpider ID117449570

More details:

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

1-Benzyl-N-[4-(methylsulfanyl)-1-oxo-1-{[3-(trifluormethyl)benzyl]amino}-2-butanyl]-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-Benzyl-N-[4-(methylsulfanyl)-1-oxo-1-{[3-(trifluoromethyl)benzyl]amino}-2-butanyl]-4-piperidinecarboxamide [ACD/IUPAC Name]
1-Benzyl-N-[4-(méthylsulfanyl)-1-oxo-1-{[3-(trifluorométhyl)benzyl]amino}-2-butanyl]-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, N-[3-(methylthio)-1-[[[[3-(trifluoromethyl)phenyl]methyl]amino]carbonyl]propyl]-1-(phenylmethyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 690.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.3±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 132.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 5.82
ACD/KOC (pH 5.5): 27.41
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 292.74
ACD/KOC (pH 7.4): 1377.99
Polar Surface Area: 87 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 412.9±3.0 cm3

Click to predict properties on the Chemicalize site


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