ChemSpider 2D Image | 3-{3-[4-Methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-(4-methyl-1,3-thiazol-2-yl)propanamide | C20H19N7O4S

3-{3-[4-Methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-(4-methyl-1,3-thiazol-2-yl)propanamide

  • Molecular FormulaC20H19N7O4S
  • Average mass453.474 Da
  • Monoisotopic mass453.121918 Da
  • ChemSpider ID22978329

More details:

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

1,2,4-Oxadiazole-5-propanamide, N-(4-methyl-2-thiazolyl)-3-[2,3,4,5-tetrahydro-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazin-6-yl]- [ACD/Index Name]
3-{3-[4-Methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-(4-methyl-1,3-thiazol-2-yl)propanamid [German] [ACD/IUPAC Name]
3-{3-[4-Methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-(4-methyl-1,3-thiazol-2-yl)propanamide [ACD/IUPAC Name]
3-{3-[4-Méthyl-2-(4-méthylphényl)-3,5-dioxo-2,3,4,5-tétrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-(4-méthyl-1,3-thiazol-2-yl)propanamide [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: 1.738
Molar Refractivity: 118.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.53
ACD/KOC (pH 5.5): 161.31
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.22
ACD/KOC (pH 7.4): 155.38
Polar Surface Area: 162 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 64.5±7.0 dyne/cm
Molar Volume: 295.6±7.0 cm3

Click to predict properties on the Chemicalize site


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