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

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

  • Molecular FormulaC18H18F6N4O3S
  • Average mass484.416 Da
  • Monoisotopic mass484.100372 Da
  • ChemSpider ID48100437

More details:

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

(4-{[3,5-Bis(trifluormethyl)phenyl]sulfonyl}-1-piperazinyl)(1,3-dimethyl-1H-pyrazol-5-yl)methanon [German] [ACD/IUPAC Name]
(4-{[3,5-Bis(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)(1,3-dimethyl-1H-pyrazol-5-yl)methanone [ACD/IUPAC Name]
(4-{[3,5-Bis(trifluorométhyl)phényl]sulfonyl}-1-pipérazinyl)(1,3-diméthyl-1H-pyrazol-5-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]-1-piperazinyl](1,3-dimethyl-1H-pyrazol-5-yl)- [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: 551.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 287.1±32.9 °C
Index of Refraction: 1.564
Molar Refractivity: 103.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 45.14
ACD/KOC (pH 5.5): 531.99
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 45.15
ACD/KOC (pH 7.4): 532.09
Polar Surface Area: 84 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 42.2±7.0 dyne/cm
Molar Volume: 317.6±7.0 cm3

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