ChemSpider 2D Image | N,2-Diphenyl-N-(2,2,2-trichloro-1-{[(4-fluoro-3-nitrophenyl)carbamothioyl]amino}ethyl)acetamide | C23H18Cl3FN4O3S

N,2-Diphenyl-N-(2,2,2-trichloro-1-{[(4-fluoro-3-nitrophenyl)carbamothioyl]amino}ethyl)acetamide

  • Molecular FormulaC23H18Cl3FN4O3S
  • Average mass555.836 Da
  • Monoisotopic mass554.014893 Da
  • ChemSpider ID58823444

More details:

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

Benzeneacetamide, N-phenyl-N-[2,2,2-trichloro-1-[[[(4-fluoro-3-nitrophenyl)amino]thioxomethyl]amino]ethyl]- [ACD/Index Name]
N,2-Diphenyl-N-(2,2,2-trichlor-1-{[(4-fluor-3-nitrophenyl)carbamothioyl]amino}ethyl)acetamid [German] [ACD/IUPAC Name]
N,2-Diphenyl-N-(2,2,2-trichloro-1-{[(4-fluoro-3-nitrophenyl)carbamothioyl]amino}ethyl)acetamide [ACD/IUPAC Name]
N,2-Diphényl-N-(2,2,2-trichloro-1-{[(4-fluoro-3-nitrophényl)carbamothioyl]amino}éthyl)acétamide [French] [ACD/IUPAC Name]
905973-89-9 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 622.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.5±34.3 °C
Index of Refraction: 1.698
Molar Refractivity: 140.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.51
ACD/LogD (pH 5.5): 6.29
ACD/BCF (pH 5.5): 35485.52
ACD/KOC (pH 5.5): 62876.05
ACD/LogD (pH 7.4): 6.28
ACD/BCF (pH 7.4): 34940.09
ACD/KOC (pH 7.4): 61909.61
Polar Surface Area: 122 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 68.6±3.0 dyne/cm
Molar Volume: 363.0±3.0 cm3

Click to predict properties on the Chemicalize site


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