ChemSpider 2D Image | 1-{[2-(2-Methoxyphenyl)-1,3-thiazol-4-yl]methyl}-4-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine | C22H22F3N3O3S2

1-{[2-(2-Methoxyphenyl)-1,3-thiazol-4-yl]methyl}-4-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine

  • Molecular FormulaC22H22F3N3O3S2
  • Average mass497.554 Da
  • Monoisotopic mass497.105469 Da
  • ChemSpider ID24523876

More details:

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

1-{[2-(2-Methoxyphenyl)-1,3-thiazol-4-yl]methyl}-4-{[4-(trifluormethyl)phenyl]sulfonyl}piperazin [German] [ACD/IUPAC Name]
1-{[2-(2-Methoxyphenyl)-1,3-thiazol-4-yl]methyl}-4-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine [ACD/IUPAC Name]
1-{[2-(2-Méthoxyphényl)-1,3-thiazol-4-yl]méthyl}-4-{[4-(trifluorométhyl)phényl]sulfonyl}pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[[2-(2-methoxyphenyl)-4-thiazolyl]methyl]-4-[[4-(trifluoromethyl)phenyl]sulfonyl]- [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: 603.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.7±34.3 °C
Index of Refraction: 1.589
Molar Refractivity: 121.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 687.32
ACD/KOC (pH 5.5): 3668.33
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 732.55
ACD/KOC (pH 7.4): 3909.73
Polar Surface Area: 99 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 359.6±3.0 cm3

Click to predict properties on the Chemicalize site


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