ChemSpider 2D Image | N-(2,4-Dimethylphenyl)-2-[(4-oxo-5-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,4-dihydro-2-pyrimidinyl)sulfanyl]acetamide | C21H18F3N3O4S2

N-(2,4-Dimethylphenyl)-2-[(4-oxo-5-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,4-dihydro-2-pyrimidinyl)sulfanyl]acetamide

  • Molecular FormulaC21H18F3N3O4S2
  • Average mass497.510 Da
  • Monoisotopic mass497.069092 Da
  • ChemSpider ID29073281

More details:

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

Acetamide, 2-[[1,6-dihydro-6-oxo-5-[[3-(trifluoromethyl)phenyl]sulfonyl]-2-pyrimidinyl]thio]-N-(2,4-dimethylphenyl)- [ACD/Index Name]
N-(2,4-Dimethylphenyl)-2-[(4-oxo-5-{[3-(trifluormethyl)phenyl]sulfonyl}-1,4-dihydro-2-pyrimidinyl)sulfanyl]acetamid [German] [ACD/IUPAC Name]
N-(2,4-Dimethylphenyl)-2-[(4-oxo-5-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,4-dihydro-2-pyrimidinyl)sulfanyl]acetamide [ACD/IUPAC Name]
N-(2,4-Diméthylphényl)-2-[(4-oxo-5-{[3-(trifluorométhyl)phényl]sulfonyl}-1,4-dihydro-2-pyrimidinyl)sulfanyl]acétamide [French] [ACD/IUPAC Name]
N-(2,4-dimethylphenyl)-2-[(6-oxo-5-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,6-dihydropyrimidin-2-yl)thio]acetamide

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: 1.622
Molar Refractivity: 119.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 14.45
ACD/KOC (pH 5.5): 125.89
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 1.49
ACD/KOC (pH 7.4): 12.99
Polar Surface Area: 138 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 340.6±7.0 cm3

Click to predict properties on the Chemicalize site


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