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

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

  • Molecular FormulaC23H18Cl3FN4O3S
  • Average mass555.836 Da
  • Monoisotopic mass554.014893 Da
  • ChemSpider ID68894522

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,2-Diphenyl-N-[(1S)-2,2,2-trichlor-1-{[(4-fluor-3-nitrophenyl)carbamothioyl]amino}ethyl]acetamid [German] [ACD/IUPAC Name]
2,2-Diphenyl-N-[(1S)-2,2,2-trichloro-1-{[(4-fluoro-3-nitrophenyl)carbamothioyl]amino}ethyl]acetamide [ACD/IUPAC Name]
2,2-Diphényl-N-[(1S)-2,2,2-trichloro-1-{[(4-fluoro-3-nitrophényl)carbamothioyl]amino}éthyl]acétamide [French] [ACD/IUPAC Name]
Benzeneacetamide, α-phenyl-N-[(1S)-2,2,2-trichloro-1-[[[(4-fluoro-3-nitrophenyl)amino]thioxomethyl]amino]ethyl]- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.674
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11295.84
ACD/KOC (pH 5.5): 27710.94
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11178.21
ACD/KOC (pH 7.4): 27422.38
Polar Surface Area: 131 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 64.6±3.0 dyne/cm
Molar Volume: 369.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement