ChemSpider 2D Image | 2-{[5-(4-Fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-oxo-5-(trifluoromethyl)-1,2-dihydro-3-pyridinyl]acetamide | C22H15F4N5O2S

2-{[5-(4-Fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-oxo-5-(trifluoromethyl)-1,2-dihydro-3-pyridinyl]acetamide

  • Molecular FormulaC22H15F4N5O2S
  • Average mass489.445 Da
  • Monoisotopic mass489.088257 Da
  • ChemSpider ID31738238

More details:

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

2-{[5-(4-Fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-oxo-5-(trifluoromethyl)-1,2-dihydro-3-pyridinyl]acetamide [ACD/IUPAC Name]
2-{[5-(4-Fluorophényl)-4-phényl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-oxo-5-(trifluorométhyl)-1,2-dihydro-3-pyridinyl]acétamide [French] [ACD/IUPAC Name]
2-{[5-(4-Fluorphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-oxo-5-(trifluormethyl)-1,2-dihydro-3-pyridinyl]acetamid [German] [ACD/IUPAC Name]
Acetamide, N-[1,2-dihydro-2-oxo-5-(trifluoromethyl)-3-pyridinyl]-2-[[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index 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: 1.649
Molar Refractivity: 119.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 105.72
ACD/KOC (pH 5.5): 978.22
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 101.71
ACD/KOC (pH 7.4): 941.14
Polar Surface Area: 114 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 328.0±7.0 cm3

Click to predict properties on the Chemicalize site


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