ChemSpider 2D Image | Ethyl 4-[2-(3-chloro-4-hydroxy-5-methoxyphenyl)-4-hydroxy-3-(2-naphthoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1-piperidinecarboxylate | C30H29ClN2O7

Ethyl 4-[2-(3-chloro-4-hydroxy-5-methoxyphenyl)-4-hydroxy-3-(2-naphthoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1-piperidinecarboxylate

  • Molecular FormulaC30H29ClN2O7
  • Average mass565.013 Da
  • Monoisotopic mass564.166321 Da
  • ChemSpider ID117923879

More details:

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

1-Piperidinecarboxylic acid, 4-[2-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,5-dihydro-4-hydroxy-3-(2-naphthalenylcarbonyl)-5-oxo-1H-pyrrol-1-yl]-, ethyl ester [ACD/Index Name]
4-[2-(3-Chloro-4-hydroxy-5-méthoxyphényl)-4-hydroxy-3-(2-naphtoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[2-(3-chloro-4-hydroxy-5-methoxyphenyl)-4-hydroxy-3-(2-naphthoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[2-(3-chlor-4-hydroxy-5-methoxyphenyl)-4-hydroxy-3-(2-naphthoyl)-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: 1.4±0.1 g/cm3
Boiling Point: 757.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 411.6±32.9 °C
Index of Refraction: 1.673
Molar Refractivity: 149.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 49.87
ACD/KOC (pH 5.5): 289.13
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.34
Polar Surface Area: 117 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 66.9±3.0 dyne/cm
Molar Volume: 397.5±3.0 cm3

Click to predict properties on the Chemicalize site


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