ChemSpider 2D Image | 2-(4-{[4-(2-Methoxyethyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}-1-piperazinyl)-N-[2-(trifluoromethyl)phenyl]acetamide | C19H25F3N6O2S

2-(4-{[4-(2-Methoxyethyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}-1-piperazinyl)-N-[2-(trifluoromethyl)phenyl]acetamide

  • Molecular FormulaC19H25F3N6O2S
  • Average mass458.501 Da
  • Monoisotopic mass458.171173 Da
  • ChemSpider ID22375474

More details:






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

1-Piperazineacetamide, 4-[[4,5-dihydro-4-(2-methoxyethyl)-5-thioxo-1H-1,2,4-triazol-1-yl]methyl]-N-[2-(trifluoromethyl)phenyl]- [ACD/Index Name]
2-(4-{[4-(2-Methoxyethyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}-1-piperazinyl)-N-[2-(trifluormethyl)phenyl]acetamid [German] [ACD/IUPAC Name]
2-(4-{[4-(2-Methoxyethyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}-1-piperazinyl)-N-[2-(trifluoromethyl)phenyl]acetamide [ACD/IUPAC Name]
2-(4-{[4-(2-Méthoxyéthyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]méthyl}-1-pipérazinyl)-N-[2-(trifluorométhyl)phényl]acétamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.605
Molar Refractivity: 113.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -0.19
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.70
ACD/KOC (pH 5.5): 48.29
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 2.03
ACD/KOC (pH 7.4): 57.81
Polar Surface Area: 96 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 330.9±7.0 cm3

Click to predict properties on the Chemicalize site






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