ChemSpider 2D Image | Ethyl 4-hydroxy-5-[3-{[2-(1H-indol-3-yl)ethyl]amino}-1-(7-methoxy-1,3-benzodioxol-5-yl)-3-oxopropyl]-6-oxo-1,6-dihydro-3-pyridinecarboxylate | C29H29N3O8

Ethyl 4-hydroxy-5-[3-{[2-(1H-indol-3-yl)ethyl]amino}-1-(7-methoxy-1,3-benzodioxol-5-yl)-3-oxopropyl]-6-oxo-1,6-dihydro-3-pyridinecarboxylate

  • Molecular FormulaC29H29N3O8
  • Average mass547.556 Da
  • Monoisotopic mass547.195435 Da
  • ChemSpider ID35331702

More details:

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

3-Pyridinecarboxylic acid, 1,6-dihydro-4-hydroxy-5-[3-[[2-(1H-indol-3-yl)ethyl]amino]-1-(7-methoxy-1,3-benzodioxol-5-yl)-3-oxopropyl]-6-oxo-, ethyl ester [ACD/Index Name]
4-Hydroxy-5-[3-{[2-(1H-indol-3-yl)éthyl]amino}-1-(7-méthoxy-1,3-benzodioxol-5-yl)-3-oxopropyl]-6-oxo-1,6-dihydro-3-pyridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-hydroxy-5-[3-{[2-(1H-indol-3-yl)ethyl]amino}-1-(7-methoxy-1,3-benzodioxol-5-yl)-3-oxopropyl]-6-oxo-1,6-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Ethyl-4-hydroxy-5-[3-{[2-(1H-indol-3-yl)ethyl]amino}-1-(7-methoxy-1,3-benzodioxol-5-yl)-3-oxopropyl]-6-oxo-1,6-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
ethyl 4-hydroxy-5-[3-{[2-(1H-indol-3-yl)ethyl]amino}-1-(7-methoxy-1,3-benzodioxol-5-yl)-3-oxopropyl]-6-oxo-1,6-dihydropyridine-3-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 837.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.6±3.0 kJ/mol
Flash Point: 460.3±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 143.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 2.31
ACD/KOC (pH 5.5): 35.80
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 66.3±3.0 dyne/cm
Molar Volume: 390.0±3.0 cm3

Click to predict properties on the Chemicalize site


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