ChemSpider 2D Image | Ethyl 4-({2-[4-(allyloxy)phenyl]-4-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate | C29H35N3O7

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

  • Molecular FormulaC29H35N3O7
  • Average mass537.604 Da
  • Monoisotopic mass537.247498 Da
  • ChemSpider ID12224980

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-[[2,5-dihydro-4-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-oxo-2-[4-(2-propen-1-yloxy)phenyl]-1H-pyrrol-3-yl]carbonyl]-3,5-dimethyl-, ethyl ester [ACD/Index Name]
4-({2-[4-(Allyloxy)phényl]-4-hydroxy-1-[2-(4-morpholinyl)éthyl]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-diméthyl-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-({2-[4-(allyloxy)phenyl]-4-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl 4-({2-[4-(allyloxy)phenyl]-4-hydroxy-1-[2-(morpholin-4-yl)ethyl]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Ethyl-4-({2-[4-(allyloxy)phenyl]-4-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
4-[2-(4-Allyloxy-phenyl)-4-hydroxy-1-(2-morpholin-4-yl-ethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
ethyl 4-(2-(4-(allyloxy)phenyl)-4-hydroxy-1-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{[4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2-(4-prop-2-enyloxyphenyl)(3-pyrrolin-3-yl)]carbonyl}-3,5-dimethylpyrrole-2-carboxylate

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

Density: 1.3±0.0 g/cm3
Boiling Point: 772.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 117.9±0.0 kJ/mol
Flash Point: 420.8±0.0 °C
Index of Refraction: 1.599
Molar Refractivity: 144.5±0.0 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 2.00
ACD/KOC (pH 5.5): 14.64
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.24
Polar Surface Area: 121 Å2
Polarizability: 57.3±0.0 10-24cm3
Surface Tension: 54.0±0.0 dyne/cm
Molar Volume: 423.3±0.0 cm3

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