ChemSpider 2D Image | 3-Ethyl 5-methyl 2-{(Z)-1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]-2-phenylvinyl}-6-methyl-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxylate | C35H32N2O7

3-Ethyl 5-methyl 2-{(Z)-1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]-2-phenylvinyl}-6-methyl-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC35H32N2O7
  • Average mass592.638 Da
  • Monoisotopic mass592.220947 Da
  • ChemSpider ID107435405

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{(Z)-1-[2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)éthoxy]-2-phénylvinyl}-6-méthyl-4-phényl-1,4-dihydro-3,5-pyridinedicarboxylate de 3-éthyle et de 5-méthyle [French] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 2-[(Z)-1-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethoxy]-2-phenylethenyl]-1,4-dihydro-6-methyl-4-phenyl-, 3-ethyl 5-methyl ester [ACD/Index Name]
3-Ethyl 5-methyl 2-{(Z)-1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]-2-phenylvinyl}-6-methyl-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
3-Ethyl-5-methyl-2-{(Z)-1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]-2-phenylvinyl}-6-methyl-4-phenyl-1,4-dihydro-3,5-pyridindicarboxylat [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: 754.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 409.9±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 163.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 15561.31
ACD/KOC (pH 5.5): 34815.29
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 15621.69
ACD/KOC (pH 7.4): 34950.37
Polar Surface Area: 111 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 461.2±3.0 cm3

Click to predict properties on the Chemicalize site


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