ChemSpider 2D Image | 2,2,2-Trifluoroethyl {[4-({[(2E)-3-(3-isopropoxyphenyl)-2-propenoyl]amino}methyl)phenyl]sulfonyl}carbamate | C22H23F3N2O6S

2,2,2-Trifluoroethyl {[4-({[(2E)-3-(3-isopropoxyphenyl)-2-propenoyl]amino}methyl)phenyl]sulfonyl}carbamate

  • Molecular FormulaC22H23F3N2O6S
  • Average mass500.488 Da
  • Monoisotopic mass500.122894 Da
  • ChemSpider ID66098896

  • Double-bond stereo - Double-bond stereo

More details:

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

{[4-({[(2E)-3-(3-Isopropoxyphényl)-2-propenoyl]amino}méthyl)phényl]sulfonyl}carbamate de 2,2,2-trifluoroéthyle [French] [ACD/IUPAC Name]
2,2,2-Trifluorethyl-{[4-({[(2E)-3-(3-isopropoxyphenyl)-2-propenoyl]amino}methyl)phenyl]sulfonyl}carbamat [German] [ACD/IUPAC Name]
2,2,2-Trifluoroethyl {[4-({[(2E)-3-(3-isopropoxyphenyl)-2-propenoyl]amino}methyl)phenyl]sulfonyl}carbamate [ACD/IUPAC Name]
Carbamic acid, N-[[4-[[[(2E)-3-[3-(1-methylethoxy)phenyl]-1-oxo-2-propen-1-yl]amino]methyl]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: 1.542
Molar Refractivity: 117.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 6.67
ACD/KOC (pH 5.5): 56.81
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 1.49
ACD/KOC (pH 7.4): 12.66
Polar Surface Area: 119 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 374.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement