ChemSpider 2D Image | 2-{4-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}-2-oxoethyl 4-(trifluoromethoxy)benzoate | C22H23F3N2O6S

2-{4-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}-2-oxoethyl 4-(trifluoromethoxy)benzoate

  • Molecular FormulaC22H23F3N2O6S
  • Average mass500.488 Da
  • Monoisotopic mass500.122894 Da
  • ChemSpider ID3103736

More details:

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

2-{4-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}-2-oxoethyl 4-(trifluoromethoxy)benzoate [ACD/IUPAC Name]
2-{4-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}-2-oxoethyl-4-(trifluormethoxy)benzoat [German] [ACD/IUPAC Name]
4-(Trifluorométhoxy)benzoate de 2-{4-[(2,4-diméthylphényl)sulfonyl]-1-pipérazinyl}-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(trifluoromethoxy)-, 2-[4-[(2,4-dimethylphenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl ester [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: 634.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 337.4±34.3 °C
Index of Refraction: 1.555
Molar Refractivity: 116.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 412.62
ACD/KOC (pH 5.5): 2593.06
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 412.62
ACD/KOC (pH 7.4): 2593.06
Polar Surface Area: 102 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 362.3±3.0 cm3

Click to predict properties on the Chemicalize site


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