ChemSpider 2D Image | 2,6-Dihydroxy-N-methyl-N-{2-({[(4-methylphenyl)sulfonyl]methyl}amino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl}benzamide | C25H23F3N2O6S

2,6-Dihydroxy-N-methyl-N-{2-({[(4-methylphenyl)sulfonyl]methyl}amino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl}benzamide

  • Molecular FormulaC25H23F3N2O6S
  • Average mass536.520 Da
  • Monoisotopic mass536.122864 Da
  • ChemSpider ID21106207

More details:

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

2,6-Dihydroxy-N-methyl-N-{2-({[(4-methylphenyl)sulfonyl]methyl}amino)-2-oxo-1-[4-(trifluormethyl)phenyl]ethyl}benzamid [German] [ACD/IUPAC Name]
2,6-Dihydroxy-N-methyl-N-{2-({[(4-methylphenyl)sulfonyl]methyl}amino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl}benzamide [ACD/IUPAC Name]
2,6-Dihydroxy-N-méthyl-N-{2-({[(4-méthylphényl)sulfonyl]méthyl}amino)-2-oxo-1-[4-(trifluorométhyl)phényl]éthyl}benzamide [French] [ACD/IUPAC Name]
Benzeneacetamide, α-[(2,6-dihydroxybenzoyl)methylamino]-N-[[(4-methylphenyl)sulfonyl]methyl]-4-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 801.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 438.3±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 128.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 296.11
ACD/KOC (pH 5.5): 2037.99
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 151.33
ACD/KOC (pH 7.4): 1041.52
Polar Surface Area: 132 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 377.9±3.0 cm3

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