ChemSpider 2D Image | Ethyl 4-({1-[2-(diethylamino)ethyl]-4-hydroxy-5-oxo-2-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate | C29H39N3O8

Ethyl 4-({1-[2-(diethylamino)ethyl]-4-hydroxy-5-oxo-2-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC29H39N3O8
  • Average mass557.635 Da
  • Monoisotopic mass557.273743 Da
  • ChemSpider ID12225016

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-[[1-[2-(diethylamino)ethyl]-2,5-dihydro-4-hydroxy-5-oxo-2-(3,4,5-trimethoxyphenyl)-1H-pyrrol-3-yl]carbonyl]-3,5-dimethyl-, ethyl ester [ACD/Index Name]
4-({1-[2-(Diéthylamino)éthyl]-4-hydroxy-5-oxo-2-(3,4,5-triméthoxyphényl)-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-diméthyl-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-({1-[2-(diethylamino)ethyl]-4-hydroxy-5-oxo-2-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-4-({1-[2-(diethylamino)ethyl]-4-hydroxy-5-oxo-2-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.0 g/cm3
Boiling Point: 733.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 112.3±0.0 kJ/mol
Flash Point: 397.1±0.0 °C
Index of Refraction: 1.576
Molar Refractivity: 149.5±0.0 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 2.52
ACD/KOC (pH 5.5): 12.89
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 2.69
ACD/KOC (pH 7.4): 13.77
Polar Surface Area: 131 Å2
Polarizability: 59.3±0.0 10-24cm3
Surface Tension: 50.5±0.0 dyne/cm
Molar Volume: 451.9±0.0 cm3

Click to predict properties on the Chemicalize site


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