Found 84 results

Search term: MF = 'C_{21}H_{16}ClF_{3}N_{4}O_{2}S'
ChemSpider 2D Image | 6-[3-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamothioyl}amino)phenoxy]-N-methylnicotinamide | C21H16ClF3N4O2S

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

  • Molecular FormulaC21H16ClF3N4O2S
  • Average mass480.891 Da
  • Monoisotopic mass480.063446 Da
  • ChemSpider ID34500916

More details:

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

3-Pyridinecarboxamide, 6-[3-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]thioxomethyl]amino]phenoxy]-N-methyl- [ACD/Index Name]
6-[3-({[4-Chlor-3-(trifluormethyl)phenyl]carbamothioyl}amino)phenoxy]-N-methylnicotinamid [German] [ACD/IUPAC Name]
6-[3-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamothioyl}amino)phenoxy]-N-methylnicotinamide [ACD/IUPAC Name]
6-[3-({[4-Chloro-3-(trifluorométhyl)phényl]carbamothioyl}amino)phénoxy]-N-méthylnicotinamide [French] [ACD/IUPAC Name]
6-{3-[3-(4-Chloro-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: 1.657
Molar Refractivity: 120.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1503.51
ACD/KOC (pH 5.5): 6542.75
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1502.88
ACD/KOC (pH 7.4): 6540.00
Polar Surface Area: 107 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 327.3±3.0 cm3

Click to predict properties on the Chemicalize site


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