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

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

  • Molecular FormulaC21H16F4N4O2S
  • Average mass464.436 Da
  • Monoisotopic mass464.093018 Da
  • ChemSpider ID34500910

More details:

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

3-Pyridinecarboxamide, 6-[3-[[[[4-fluoro-3-(trifluoromethyl)phenyl]amino]thioxomethyl]amino]phenoxy]-N-methyl- [ACD/Index Name]
6-[3-({[4-Fluor-3-(trifluormethyl)phenyl]carbamothioyl}amino)phenoxy]-N-methylnicotinamid [German] [ACD/IUPAC Name]
6-[3-({[4-Fluoro-3-(trifluoromethyl)phenyl]carbamothioyl}amino)phenoxy]-N-methylnicotinamide [ACD/IUPAC Name]
6-[3-({[4-Fluoro-3-(trifluorométhyl)phényl]carbamothioyl}amino)phénoxy]-N-méthylnicotinamide [French] [ACD/IUPAC Name]
6-{3-[3-(4-Fluoro-3-trifluoromethyl-phenyl)-thioureido]-phenoxy}-N-methyl-nicotinamide

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: 1.642
Molar Refractivity: 115.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 384.32
ACD/KOC (pH 5.5): 2464.42
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 384.22
ACD/KOC (pH 7.4): 2463.81
Polar Surface Area: 107 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 319.6±3.0 cm3

Click to predict properties on the Chemicalize site


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