ChemSpider 2D Image | Ethyl 5-{1-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-[(3-ethoxy-4-methoxybenzyl)amino]-3-oxopropyl}-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate | C30H34N2O11

Ethyl 5-{1-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-[(3-ethoxy-4-methoxybenzyl)amino]-3-oxopropyl}-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate

  • Molecular FormulaC30H34N2O11
  • Average mass598.598 Da
  • Monoisotopic mass598.216248 Da
  • ChemSpider ID35331676

More details:

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

3-Pyridinecarboxylic acid, 5-[1-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-[[(3-ethoxy-4-methoxyphenyl)methyl]amino]-3-oxopropyl]-1,6-dihydro-4-hydroxy-6-oxo-, ethyl ester [ACD/Index Name]
5-{1-(4,7-Diméthoxy-1,3-benzodioxol-5-yl)-3-[(3-éthoxy-4-méthoxybenzyl)amino]-3-oxopropyl}-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-{1-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-[(3-ethoxy-4-methoxybenzyl)amino]-3-oxopropyl}-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Ethyl-5-{1-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-[(3-ethoxy-4-methoxybenzyl)amino]-3-oxopropyl}-4-hydroxy-6-oxo-1,6-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
ethyl 5-{1-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-[(3-ethoxy-4-methoxybenzyl)amino]-3-oxopropyl}-4-hydroxy-6-oxo-1,6-dihydropyridine-3-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 816.2±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: 447.4±34.3 °C
Index of Refraction: 1.589
Molar Refractivity: 151.6±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 23.25
ACD/LogD (pH 7.4): -1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 449.6±3.0 cm3

Click to predict properties on the Chemicalize site


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