ChemSpider 2D Image | 2-[({5-Benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-ethoxy-1,3-thiazole-4-carboxamide | C23H20F3N5O2S2

2-[({5-Benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-ethoxy-1,3-thiazole-4-carboxamide

  • Molecular FormulaC23H20F3N5O2S2
  • Average mass519.562 Da
  • Monoisotopic mass519.101074 Da
  • ChemSpider ID21583564

More details:

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

2-[({5-Benzyl-4-[3-(trifluormethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-ethoxy-1,3-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
2-[({5-Benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-ethoxy-1,3-thiazole-4-carboxamide [ACD/IUPAC Name]
2-[({5-Benzyl-4-[3-(trifluorométhyl)phényl]-4H-1,2,4-triazol-3-yl}sulfanyl)méthyl]-N-éthoxy-1,3-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Thiazolecarboxamide, N-ethoxy-2-[[[5-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]thio]methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 132.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1343.38
ACD/KOC (pH 5.5): 6036.13
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1343.44
ACD/KOC (pH 7.4): 6036.38
Polar Surface Area: 135 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 364.0±7.0 cm3

Click to predict properties on the Chemicalize site


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