ChemSpider 2D Image | 6-{[4-({[4-Fluoro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]sulfanyl}-N-methylnicotinamide | C21H16F4N4O2S

6-{[4-({[4-Fluoro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]sulfanyl}-N-methylnicotinamide

  • Molecular FormulaC21H16F4N4O2S
  • Average mass464.436 Da
  • Monoisotopic mass464.093018 Da
  • ChemSpider ID90649702

More details:

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

3-Pyridinecarboxamide, 6-[[4-[[[[4-fluoro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenyl]thio]-N-methyl- [ACD/Index Name]
6-{[4-({[4-Fluor-3-(trifluormethyl)phenyl]carbamoyl}amino)phenyl]sulfanyl}-N-methylnicotinamid [German] [ACD/IUPAC Name]
6-{[4-({[4-Fluoro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]sulfanyl}-N-methylnicotinamide [ACD/IUPAC Name]
6-{[4-({[4-Fluoro-3-(trifluorométhyl)phényl]carbamoyl}amino)phényl]sulfanyl}-N-méthylnicotinamide [French] [ACD/IUPAC 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: 555.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.7±30.1 °C
Index of Refraction: 1.626
Molar Refractivity: 112.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1115.73
ACD/KOC (pH 5.5): 5284.94
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1115.52
ACD/KOC (pH 7.4): 5283.97
Polar Surface Area: 108 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 316.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement