ChemSpider 2D Image | Ethyl 4-[{1-[2-(diethylamino)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)-3-pyrrolidinylidene}(hydroxy)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate | C29H39N3O8

Ethyl 4-[{1-[2-(diethylamino)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)-3-pyrrolidinylidene}(hydroxy)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC29H39N3O8
  • Average mass557.635 Da
  • Monoisotopic mass557.273743 Da
  • ChemSpider ID4049184

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-[[1-[2-(diethylamino)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)-3-pyrrolidinylidene]hydroxymethyl]-3,5-dimethyl-, ethyl ester [ACD/Index Name]
4-[{1-[2-(Diéthylamino)éthyl]-4,5-dioxo-2-(3,4,5-triméthoxyphényl)-3-pyrrolidinylidène}(hydroxy)méthyl]-3,5-diméthyl-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[{1-[2-(diethylamino)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)-3-pyrrolidinylidene}(hydroxy)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-4-[{1-[2-(diethylamino)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)-3-pyrrolidinyliden}(hydroxy)methyl]-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±0.1 g/cm3
Boiling Point: 693.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 373.4±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 149.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.41
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 1.76
ACD/KOC (pH 7.4): 13.70
Polar Surface Area: 131 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 453.7±3.0 cm3

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