ChemSpider 2D Image | 3-{[N-(2-Thienylsulfonyl)-beta-alanyl]amino}-N-[3-(trifluoromethyl)phenyl]benzamide | C21H18F3N3O4S2

3-{[N-(2-Thienylsulfonyl)-β-alanyl]amino}-N-[3-(trifluoromethyl)phenyl]benzamide

  • Molecular FormulaC21H18F3N3O4S2
  • Average mass497.510 Da
  • Monoisotopic mass497.069092 Da
  • ChemSpider ID30641696

More details:

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

3-{[N-(2-Thienylsulfonyl)-β-alanyl]amino}-N-[3-(trifluormethyl)phenyl]benzamid [German] [ACD/IUPAC Name]
3-{[N-(2-Thienylsulfonyl)-β-alanyl]amino}-N-[3-(trifluoromethyl)phenyl]benzamide [ACD/IUPAC Name]
3-{[N-(2-Thiénylsulfonyl)-β-alanyl]amino}-N-[3-(trifluorométhyl)phényl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[[1-oxo-3-[(2-thienylsulfonyl)amino]propyl]amino]-N-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 117.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 289.69
ACD/KOC (pH 5.5): 2013.04
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 289.29
ACD/KOC (pH 7.4): 2010.31
Polar Surface Area: 141 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 335.9±3.0 cm3

Click to predict properties on the Chemicalize site


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