ChemSpider 2D Image | 1-(1-Oxo-1-{[4-(trifluoromethyl)phenyl]amino}-2-propanyl)-N-[2-(2-thienyl)ethyl]-4-piperidinecarboxamide | C22H26F3N3O2S

1-(1-Oxo-1-{[4-(trifluoromethyl)phenyl]amino}-2-propanyl)-N-[2-(2-thienyl)ethyl]-4-piperidinecarboxamide

  • Molecular FormulaC22H26F3N3O2S
  • Average mass453.521 Da
  • Monoisotopic mass453.169769 Da
  • ChemSpider ID34293943

More details:

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

1-(1-Oxo-1-{[4-(trifluormethyl)phenyl]amino}-2-propanyl)-N-[2-(2-thienyl)ethyl]-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-(1-Oxo-1-{[4-(trifluoromethyl)phenyl]amino}-2-propanyl)-N-[2-(2-thienyl)ethyl]-4-piperidinecarboxamide [ACD/IUPAC Name]
1-(1-Oxo-1-{[4-(trifluorométhyl)phényl]amino}-2-propanyl)-N-[2-(2-thiényl)éthyl]-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1-Piperidineacetamide, α-methyl-4-[[[2-(2-thienyl)ethyl]amino]carbonyl]-N-[4-(trifluoromethyl)phenyl]- [ACD/Index 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: 641.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.6±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 115.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 103.17
ACD/KOC (pH 5.5): 591.58
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 538.89
ACD/KOC (pH 7.4): 3089.95
Polar Surface Area: 90 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 350.9±3.0 cm3

Click to predict properties on the Chemicalize site


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