ChemSpider 2D Image | [3,5-Bis(trifluoromethyl)phenyl]{4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-piperazinyl}methanone | C18H18F6N4O3S

[3,5-Bis(trifluoromethyl)phenyl]{4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-piperazinyl}methanone

  • Molecular FormulaC18H18F6N4O3S
  • Average mass484.416 Da
  • Monoisotopic mass484.100372 Da
  • ChemSpider ID126011944

More details:

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

[3,5-Bis(trifluormethyl)phenyl]{4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
[3,5-Bis(trifluoromethyl)phenyl]{4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
[3,5-Bis(trifluorométhyl)phényl]{4-[(3,5-diméthyl-1H-pyrazol-4-yl)sulfonyl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [3,5-bis(trifluoromethyl)phenyl][4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-piperazinyl]- [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: 588.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 310.0±32.9 °C
Index of Refraction: 1.531
Molar Refractivity: 100.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 198.78
ACD/KOC (pH 5.5): 1537.26
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 198.82
ACD/KOC (pH 7.4): 1537.57
Polar Surface Area: 95 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 324.0±3.0 cm3

Click to predict properties on the Chemicalize site


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