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Search term: XHKKCXMZBGDTIT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-({5-[(2,4-Dimethylphenyl)sulfonyl]-4-oxo-1,4-dihydro-2-pyrimidinyl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide | C21H18F3N3O4S2

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

  • Molecular FormulaC21H18F3N3O4S2
  • Average mass497.510 Da
  • Monoisotopic mass497.069092 Da
  • ChemSpider ID28945941

More details:

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

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

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: 2.77
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 11.58
ACD/KOC (pH 5.5): 119.64
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.08
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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