ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-N-(2-furylmethyl)-N-[2-({[(4-methylphenyl)sulfonyl]methyl}amino)-2-oxo-1-phenylethyl]acetamide | C29H28N2O7S

2-(3,4-Dihydroxyphenyl)-N-(2-furylmethyl)-N-[2-({[(4-methylphenyl)sulfonyl]methyl}amino)-2-oxo-1-phenylethyl]acetamide

  • Molecular FormulaC29H28N2O7S
  • Average mass548.607 Da
  • Monoisotopic mass548.161743 Da
  • ChemSpider ID21105843

More details:

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

2-(3,4-Dihydroxyphenyl)-N-(2-furylmethyl)-N-[2-({[(4-methylphenyl)sulfonyl]methyl}amino)-2-oxo-1-phenylethyl]acetamid [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-N-(2-furylmethyl)-N-[2-({[(4-methylphenyl)sulfonyl]methyl}amino)-2-oxo-1-phenylethyl]acetamide [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-N-(2-furylméthyl)-N-[2-({[(4-méthylphényl)sulfonyl]méthyl}amino)-2-oxo-1-phényléthyl]acétamide [French] [ACD/IUPAC Name]
2-(3,4-dihydroxyphenyl)-N-(furan-2-ylmethyl)-N-[2-({[(4-methylphenyl)sulfonyl]methyl}amino)-2-oxo-1-phenylethyl]acetamide
Benzeneacetamide, N-(2-furanylmethyl)-3,4-dihydroxy-N-[2-[[[(4-methylphenyl)sulfonyl]methyl]amino]-2-oxo-1-phenylethyl]- [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: 871.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.0±3.0 kJ/mol
Flash Point: 480.8±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 145.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.41
ACD/KOC (pH 5.5): 881.58
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 90.29
ACD/KOC (pH 7.4): 870.76
Polar Surface Area: 146 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 402.8±3.0 cm3

Click to predict properties on the Chemicalize site


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