ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-3-[2-(methyl{[3-(trifluoromethyl)phenyl]carbamoyl}amino)ethyl]-1,2,4-oxadiazole-5-carboxamide | C22H20F3N5O5

N-(1,3-Benzodioxol-5-ylmethyl)-3-[2-(methyl{[3-(trifluoromethyl)phenyl]carbamoyl}amino)ethyl]-1,2,4-oxadiazole-5-carboxamide

  • Molecular FormulaC22H20F3N5O5
  • Average mass491.420 Da
  • Monoisotopic mass491.141663 Da
  • ChemSpider ID23025911

More details:

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

1,2,4-Oxadiazole-5-carboxamide, N-(1,3-benzodioxol-5-ylmethyl)-3-[2-[methyl[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]ethyl]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-ylmethyl)-3-[2-(methyl{[3-(trifluormethyl)phenyl]carbamoyl}amino)ethyl]-1,2,4-oxadiazol-5-carboxamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-3-[2-(methyl{[3-(trifluoromethyl)phenyl]carbamoyl}amino)ethyl]-1,2,4-oxadiazole-5-carboxamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-3-[2-(méthyl{[3-(trifluorométhyl)phényl]carbamoyl}amino)éthyl]-1,2,4-oxadiazole-5-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.600
Molar Refractivity: 115.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 69.98
ACD/KOC (pH 5.5): 728.22
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.98
ACD/KOC (pH 7.4): 728.20
Polar Surface Area: 119 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 338.5±3.0 cm3

Click to predict properties on the Chemicalize site


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