ChemSpider 2D Image | Methyl 3-{2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl}-3-{4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,2-dihydro-3-pyridinyl}propanoate | C36H36N2O6

Methyl 3-{2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl}-3-{4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,2-dihydro-3-pyridinyl}propanoate

  • Molecular FormulaC36H36N2O6
  • Average mass592.681 Da
  • Monoisotopic mass592.257324 Da
  • ChemSpider ID35146123

More details:

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

3-{2-[2-(2,3-Dihydro-1-benzofuran-5-yl)éthoxy]phényl}-3-{4-hydroxy-1-[2-(1H-indol-3-yl)éthyl]-6-méthyl-2-oxo-1,2-dihydro-3-pyridinyl}propanoate de méthyle [French] [ACD/IUPAC Name]
3-Pyridinepropanoic acid, β-[2-[2-(2,3-dihydro-5-benzofuranyl)ethoxy]phenyl]-1,2-dihydro-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-, methyl ester [ACD/Index Name]
Methyl 3-{2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl}-3-{4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,2-dihydro-3-pyridinyl}propanoate [ACD/IUPAC Name]
Methyl-3-{2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl}-3-{4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,2-dihydro-3-pyridinyl}propanoat [German] [ACD/IUPAC Name]
methyl 3-(1-(2-(1H-indol-3-yl)ethyl)-4-hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)-3-(2-(2-(2,3-dihydrobenzofuran-5-yl)ethoxy)phenyl)propanoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 829.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.3±3.0 kJ/mol
Flash Point: 455.2±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 168.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 2486.73
ACD/KOC (pH 5.5): 6979.69
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 50.27
ACD/KOC (pH 7.4): 141.09
Polar Surface Area: 101 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 455.7±3.0 cm3

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