ChemSpider 2D Image | 3-(2-Chlorophenyl)-N-{[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl}-5-methyl-1,2-oxazole-4-carboxamide | C22H17ClFN3O2S

3-(2-Chlorophenyl)-N-{[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl}-5-methyl-1,2-oxazole-4-carboxamide

  • Molecular FormulaC22H17ClFN3O2S
  • Average mass441.906 Da
  • Monoisotopic mass441.071411 Da
  • ChemSpider ID30749912

More details:

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

3-(2-Chlorophenyl)-N-{[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl}-5-methyl-1,2-oxazole-4-carboxamide [ACD/IUPAC Name]
3-(2-Chlorophényl)-N-{[2-(2-fluorophényl)-4-méthyl-1,3-thiazol-5-yl]méthyl}-5-méthyl-1,2-oxazole-4-carboxamide [French] [ACD/IUPAC Name]
3-(2-Chlorphenyl)-N-{[2-(2-fluorphenyl)-4-methyl-1,3-thiazol-5-yl]methyl}-5-methyl-1,2-oxazol-4-carboxamid [German] [ACD/IUPAC Name]
4-Isoxazolecarboxamide, 3-(2-chlorophenyl)-N-[[2-(2-fluorophenyl)-4-methyl-5-thiazolyl]methyl]-5-methyl- [ACD/Index Name]
1421441-79-3 [RN]
3-(2-chlorophenyl)-N-((2-(2-fluorophenyl)-4-methylthiazol-5-yl)methyl)-5-methylisoxazole-4-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.617
Molar Refractivity: 115.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 800.69
ACD/KOC (pH 5.5): 4167.45
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 800.88
ACD/KOC (pH 7.4): 4168.45
Polar Surface Area: 96 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 328.5±3.0 cm3

Click to predict properties on the Chemicalize site


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