ChemSpider 2D Image | 3-{[5-(3,4-Dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl}-N-[3-(trifluoromethyl)phenyl]propanamide | C22H21F3N2O4S

3-{[5-(3,4-Dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl}-N-[3-(trifluoromethyl)phenyl]propanamide

  • Molecular FormulaC22H21F3N2O4S
  • Average mass466.473 Da
  • Monoisotopic mass466.117401 Da
  • ChemSpider ID29028287

More details:

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

3-{[5-(3,4-Dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl}-N-[3-(trifluormethyl)phenyl]propanamid [German] [ACD/IUPAC Name]
3-{[5-(3,4-Dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonyl}-N-[3-(trifluoromethyl)phenyl]propanamide [ACD/IUPAC Name]
3-{[5-(3,4-Diméthyl-1,2-oxazol-5-yl)-2-méthylphényl]sulfonyl}-N-[3-(trifluorométhyl)phényl]propanamide [French] [ACD/IUPAC Name]
Propanamide, 3-[[5-(3,4-dimethyl-5-isoxazolyl)-2-methylphenyl]sulfonyl]-N-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 667.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.3±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 111.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1577.95
ACD/KOC (pH 5.5): 6773.19
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1577.95
ACD/KOC (pH 7.4): 6773.19
Polar Surface Area: 98 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 348.8±3.0 cm3

Click to predict properties on the Chemicalize site


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