ChemSpider 2D Image | Ethyl 4-[2-(3,4-diethoxyphenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1-piperidinecarboxylate | C29H33N3O9

Ethyl 4-[2-(3,4-diethoxyphenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1-piperidinecarboxylate

  • Molecular FormulaC29H33N3O9
  • Average mass567.587 Da
  • Monoisotopic mass567.221680 Da
  • ChemSpider ID117940935

More details:

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

1-Piperidinecarboxylic acid, 4-[2-(3,4-diethoxyphenyl)-2,5-dihydro-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-1H-pyrrol-1-yl]-, ethyl ester [ACD/Index Name]
4-[2-(3,4-Diéthoxyphényl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[2-(3,4-diethoxyphenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[2-(3,4-diethoxyphenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 749.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 406.9±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 146.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 14.11
ACD/KOC (pH 5.5): 117.21
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.02
Polar Surface Area: 151 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 421.9±3.0 cm3

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