ChemSpider 2D Image | Ethyl 4-{[6-hydroxy-4-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-7-yl]methyl}-1-piperazinecarboxylate | C27H32N2O8

Ethyl 4-{[6-hydroxy-4-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-7-yl]methyl}-1-piperazinecarboxylate

  • Molecular FormulaC27H32N2O8
  • Average mass512.552 Da
  • Monoisotopic mass512.215881 Da
  • ChemSpider ID35288062

More details:

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

1-Piperazinecarboxylic acid, 4-[[2,3-dihydro-6-hydroxy-4-methyl-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylene]-7-benzofuranyl]methyl]-, ethyl ester [ACD/Index Name]
4-{[6-Hydroxy-4-méthyl-3-oxo-2-(3,4,5-triméthoxybenzylidène)-2,3-dihydro-1-benzofuran-7-yl]méthyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[6-hydroxy-4-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-7-yl]methyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{[6-hydroxy-4-methyl-3-oxo-2-(3,4,5-trimethoxybenzyliden)-2,3-dihydro-1-benzofuran-7-yl]methyl}-1-piperazincarboxylat [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: 704.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 380.0±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 137.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 22.63
ACD/KOC (pH 5.5): 238.65
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 3.43
ACD/KOC (pH 7.4): 36.15
Polar Surface Area: 107 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 392.1±3.0 cm3

Click to predict properties on the Chemicalize site


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