ChemSpider 2D Image | (2-Phenyl-1,3-thiazol-4-yl)(4-{[3-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)methanone | C21H18F3N3O3S2

(2-Phenyl-1,3-thiazol-4-yl)(4-{[3-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)methanone

  • Molecular FormulaC21H18F3N3O3S2
  • Average mass481.511 Da
  • Monoisotopic mass481.074158 Da
  • ChemSpider ID21701575

More details:

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

(2-Phenyl-1,3-thiazol-4-yl)(4-{[3-(trifluormethyl)phenyl]sulfonyl}-1-piperazinyl)methanon [German] [ACD/IUPAC Name]
(2-Phenyl-1,3-thiazol-4-yl)(4-{[3-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)methanone [ACD/IUPAC Name]
(2-Phényl-1,3-thiazol-4-yl)(4-{[3-(trifluorométhyl)phényl]sulfonyl}-1-pipérazinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, (2-phenyl-4-thiazolyl)[4-[[3-(trifluoromethyl)phenyl]sulfonyl]-1-piperazinyl]- [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: 637.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 339.1±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 114.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 214.98
ACD/KOC (pH 5.5): 1626.07
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 214.99
ACD/KOC (pH 7.4): 1626.12
Polar Surface Area: 107 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 334.4±3.0 cm3

Click to predict properties on the Chemicalize site


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