ChemSpider 2D Image | 4-{3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl}-2-fluoro-3-methylbenzamide | C21H16F4N4O2S

4-{3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl}-2-fluoro-3-methylbenzamide

  • Molecular FormulaC21H16F4N4O2S
  • Average mass464.436 Da
  • Monoisotopic mass464.093018 Da
  • ChemSpider ID28468494

More details:

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

4-{3-[4-Cyan-3-(trifluormethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl}-2-fluor-3-methylbenzamid [German] [ACD/IUPAC Name]
4-{3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl}-2-fluoro-3-methylbenzamide [ACD/IUPAC Name]
4-{3-[4-Cyano-3-(trifluorométhyl)phényl]-5,5-diméthyl-4-oxo-2-thioxo-1-imidazolidinyl}-2-fluoro-3-méthylbenzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluoro-3-methyl- [ACD/Index Name]
n-methyl-4-[3-(4-cyano-3-trifluoromethylphenyl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl]-2-fluorobenzamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 552.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 287.7±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 110.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.98
ACD/KOC (pH 5.5): 588.59
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.98
ACD/KOC (pH 7.4): 588.59
Polar Surface Area: 123 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 68.0±5.0 dyne/cm
Molar Volume: 305.6±5.0 cm3

Click to predict properties on the Chemicalize site


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