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

1-(4-{[3,5-Bis(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)-2-(4-methyl-1H-pyrazol-1-yl)ethanone

  • Molecular FormulaC18H18F6N4O3S
  • Average mass484.416 Da
  • Monoisotopic mass484.100372 Da
  • ChemSpider ID33517586

More details:

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

1-(4-{[3,5-Bis(trifluormethyl)phenyl]sulfonyl}-1-piperazinyl)-2-(4-methyl-1H-pyrazol-1-yl)ethanon [German] [ACD/IUPAC Name]
1-(4-{[3,5-Bis(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)-2-(4-methyl-1H-pyrazol-1-yl)ethanone [ACD/IUPAC Name]
1-(4-{[3,5-Bis(trifluorométhyl)phényl]sulfonyl}-1-pipérazinyl)-2-(4-méthyl-1H-pyrazol-1-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]-1-piperazinyl]-2-(4-methyl-1H-pyrazol-1-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: 552.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 288.1±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 103.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 173.26
ACD/KOC (pH 5.5): 1393.08
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 173.40
ACD/KOC (pH 7.4): 1394.19
Polar Surface Area: 84 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 318.5±7.0 cm3

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