ChemSpider 2D Image | 3-{3-[2-(4-Chlorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-ethylpropanamide | C17H17ClN6O4

3-{3-[2-(4-Chlorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-ethylpropanamide

  • Molecular FormulaC17H17ClN6O4
  • Average mass404.808 Da
  • Monoisotopic mass404.099976 Da
  • ChemSpider ID29040604

More details:

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

1,2,4-Oxadiazole-5-propanamide, 3-[2-(4-chlorophenyl)-2,3,4,5-tetrahydro-4-methyl-3,5-dioxo-1,2,4-triazin-6-yl]-N-ethyl- [ACD/Index Name]
3-{3-[2-(4-Chlorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-ethylpropanamide [ACD/IUPAC Name]
3-{3-[2-(4-Chlorophényl)-4-méthyl-3,5-dioxo-2,3,4,5-tétrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-éthylpropanamide [French] [ACD/IUPAC Name]
3-{3-[2-(4-Chlorphenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-ethylpropanamid [German] [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: 1.686
Molar Refractivity: 101.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.68
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 2.49
ACD/KOC (pH 5.5): 66.95
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 2.49
ACD/KOC (pH 7.4): 66.95
Polar Surface Area: 121 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 60.2±7.0 dyne/cm
Molar Volume: 266.9±7.0 cm3

Click to predict properties on the Chemicalize site


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