ChemSpider 2D Image | {4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}[2-(trifluoromethyl)phenyl]methanone | C17H18F3N3O4S

{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}[2-(trifluoromethyl)phenyl]methanone

  • Molecular FormulaC17H18F3N3O4S
  • Average mass417.403 Da
  • Monoisotopic mass417.097015 Da
  • ChemSpider ID21718755

More details:

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

{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}[2-(trifluormethyl)phenyl]methanon [German] [ACD/IUPAC Name]
{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}[2-(trifluoromethyl)phenyl]methanone [ACD/IUPAC Name]
{4-[(3,5-Diméthyl-1,2-oxazol-4-yl)sulfonyl]-1-pipérazinyl}[2-(trifluorométhyl)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl][2-(trifluoromethyl)phenyl]- [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: 576.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.2±32.9 °C
Index of Refraction: 1.549
Molar Refractivity: 93.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.10
ACD/KOC (pH 5.5): 254.36
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.10
ACD/KOC (pH 7.4): 254.36
Polar Surface Area: 92 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 294.9±3.0 cm3

Click to predict properties on the Chemicalize site


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