ChemSpider 2D Image | N-[5-(4-Allyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide | C19H15FN6OS3

N-[5-(4-Allyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide

  • Molecular FormulaC19H15FN6OS3
  • Average mass458.555 Da
  • Monoisotopic mass458.045349 Da
  • ChemSpider ID34378571

More details:

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

4-Thiazolecarboxamide, N-[5-[4,5-dihydro-4-(2-propen-1-yl)-5-thioxo-1H-1,2,4-triazol-3-yl]-4-methyl-2-thiazolyl]-2-(2-fluorophenyl)- [ACD/Index Name]
N-[5-(4-Allyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide [ACD/IUPAC Name]
N-[5-(4-Allyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-4-méthyl-1,3-thiazol-2-yl]-2-(2-fluorophényl)-1,3-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
N-[5-(4-Allyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]-2-(2-fluorphenyl)-1,3-thiazol-4-carboxamid [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.770
Molar Refractivity: 122.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 2.21
ACD/KOC (pH 5.5): 22.56
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.14
Polar Surface Area: 171 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 60.0±7.0 dyne/cm
Molar Volume: 294.7±7.0 cm3

Click to predict properties on the Chemicalize site


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