ChemSpider 2D Image | 2,2,2-Trifluoroethyl {[4-(2-{[4-(4-methylphenyl)-4-oxobutanoyl]amino}ethyl)phenyl]sulfonyl}carbamate | C22H23F3N2O6S

2,2,2-Trifluoroethyl {[4-(2-{[4-(4-methylphenyl)-4-oxobutanoyl]amino}ethyl)phenyl]sulfonyl}carbamate

  • Molecular FormulaC22H23F3N2O6S
  • Average mass500.488 Da
  • Monoisotopic mass500.122894 Da
  • ChemSpider ID66741219

More details:

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

{[4-(2-{[4-(4-Méthylphényl)-4-oxobutanoyl]amino}éthyl)phényl]sulfonyl}carbamate de 2,2,2-trifluoroéthyle [French] [ACD/IUPAC Name]
2,2,2-Trifluorethyl-{[4-(2-{[4-(4-methylphenyl)-4-oxobutanoyl]amino}ethyl)phenyl]sulfonyl}carbamat [German] [ACD/IUPAC Name]
2,2,2-Trifluoroethyl {[4-(2-{[4-(4-methylphenyl)-4-oxobutanoyl]amino}ethyl)phenyl]sulfonyl}carbamate [ACD/IUPAC Name]
Carbamic acid, N-[[4-[2-[[4-(4-methylphenyl)-1,4-dioxobutyl]amino]ethyl]phenyl]sulfonyl]-, 2,2,2-trifluoroethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.535
Molar Refractivity: 116.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 7.43
ACD/KOC (pH 5.5): 65.89
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 1.31
ACD/KOC (pH 7.4): 11.61
Polar Surface Area: 127 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 373.4±3.0 cm3

Click to predict properties on the Chemicalize site


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