ChemSpider 2D Image | N-[1-(3,5-Dimethoxyphenyl)-2-({[(4-methylphenyl)sulfonyl]methyl}amino)-2-oxoethyl]-2,4,6-trihydroxy-N-methylbenzamide | C26H28N2O9S

N-[1-(3,5-Dimethoxyphenyl)-2-({[(4-methylphenyl)sulfonyl]methyl}amino)-2-oxoethyl]-2,4,6-trihydroxy-N-methylbenzamide

  • Molecular FormulaC26H28N2O9S
  • Average mass544.573 Da
  • Monoisotopic mass544.151550 Da
  • ChemSpider ID21105832

More details:






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

Benzeneacetamide, 3,5-dimethoxy-N-[[(4-methylphenyl)sulfonyl]methyl]-α-[methyl(2,4,6-trihydroxybenzoyl)amino]- [ACD/Index Name]
N-[1-(3,5-Dimethoxyphenyl)-2-({[(4-methylphenyl)sulfonyl]methyl}amino)-2-oxoethyl]-2,4,6-trihydroxy-N-methylbenzamid [German] [ACD/IUPAC Name]
N-[1-(3,5-Dimethoxyphenyl)-2-({[(4-methylphenyl)sulfonyl]methyl}amino)-2-oxoethyl]-2,4,6-trihydroxy-N-methylbenzamide [ACD/IUPAC Name]
N-[1-(3,5-Diméthoxyphényl)-2-({[(4-méthylphényl)sulfonyl]méthyl}amino)-2-oxoéthyl]-2,4,6-trihydroxy-N-méthylbenzamide [French] [ACD/IUPAC Name]
UC-171Htemp

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 869.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.7±3.0 kJ/mol
Flash Point: 479.8±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 137.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.92
ACD/KOC (pH 5.5): 466.22
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 11.96
ACD/KOC (pH 7.4): 147.00
Polar Surface Area: 171 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 390.9±3.0 cm3

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