ChemSpider 2D Image | 3-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide | C28H28N2O8

3-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide

  • Molecular FormulaC28H28N2O8
  • Average mass520.531 Da
  • Monoisotopic mass520.184570 Da
  • ChemSpider ID35331730

More details:

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

1,3-Benzodioxole-5-propanamide, β-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-4,7-dimethoxy- [ACD/Index Name]
3-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamid [German] [ACD/IUPAC Name]
3-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide [ACD/IUPAC Name]
3-(4,7-Diméthoxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-méthyl-2-oxo-2H-pyran-3-yl)-N-[2-(1H-indol-3-yl)éthyl]propanamide [French] [ACD/IUPAC 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: 816.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.4±3.0 kJ/mol
Flash Point: 447.5±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 137.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 14.84
ACD/KOC (pH 5.5): 159.35
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.83
Polar Surface Area: 128 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 374.9±3.0 cm3

Click to predict properties on the Chemicalize site


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