ChemSpider 2D Image | 2-[2-(6,7-Dimethoxy-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl] 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate | C29H32N2O7

2-[2-(6,7-Dimethoxy-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl] 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

  • Molecular FormulaC29H32N2O7
  • Average mass520.574 Da
  • Monoisotopic mass520.220947 Da
  • ChemSpider ID4358297

More details:

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

1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-[2-(3,4-dihydro-6,7-dimethoxy-1-phenyl-2(1H)-isoquinolinyl)-2-oxoethyl] 4-ethyl ester [ACD/Index Name]
2-[2-(6,7-Dimethoxy-1-phenyl-3,4-dihydro-2(1H)-isochinolinyl)-2-oxoethyl]-4-ethyl-3,5-dimethyl-1H-pyrrol-2,4-dicarboxylat [German] [ACD/IUPAC Name]
2-[2-(6,7-Dimethoxy-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl] 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate [ACD/IUPAC Name]
3,5-Diméthyl-1H-pyrrole-2,4-dicarboxylate de 2-[2-(6,7-diméthoxy-1-phényl-3,4-dihydro-2(1H)-isoquinoléinyl)-2-oxoéthyle] et de 4-éthyle [French] [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: 725.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.7±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 140.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5635.21
ACD/KOC (pH 5.5): 16845.87
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5635.21
ACD/KOC (pH 7.4): 16845.87
Polar Surface Area: 107 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 418.3±3.0 cm3

Click to predict properties on the Chemicalize site


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