ChemSpider 2D Image | N-(3-Fluorophenyl)-3-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl][1,2,4]triazolo[4,3-a]pyridine-6-carboxamide | C22H15F4N5O2S

N-(3-Fluorophenyl)-3-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl][1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

  • Molecular FormulaC22H15F4N5O2S
  • Average mass489.445 Da
  • Monoisotopic mass489.088257 Da
  • ChemSpider ID23033244

More details:

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

1,2,4-Triazolo[4,3-a]pyridine-6-carboxamide, N-(3-fluorophenyl)-3-[[2-oxo-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]thio]- [ACD/Index Name]
N-(3-Fluorophenyl)-3-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl][1,2,4]triazolo[4,3-a]pyridine-6-carboxamide [ACD/IUPAC Name]
N-(3-Fluorophényl)-3-[(2-oxo-2-{[3-(trifluorométhyl)phényl]amino}éthyl)sulfanyl][1,2,4]triazolo[4,3-a]pyridine-6-carboxamide [French] [ACD/IUPAC Name]
N-(3-Fluorphenyl)-3-[(2-oxo-2-{[3-(trifluormethyl)phenyl]amino}ethyl)sulfanyl][1,2,4]triazolo[4,3-a]pyridin-6-carboxamid [German] [ACD/IUPAC Name]
1-[2-({[(2,5-dimethoxyphenyl)amino]carbonyl}amino)ethyl]-N,N-dimethyl-1H-1,2,3-benzotriazole-5-carboxamide

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: 4.98
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 371.87
ACD/KOC (pH 5.5): 2407.06
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 371.18
ACD/KOC (pH 7.4): 2402.57
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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