ChemSpider 2D Image | 1-(4-Methoxybenzyl)-3-(2,4,5-trimethoxy-3-methylbenzyl)-6-(2,4,5-trimethoxy-3-methylbenzylidene)-2,5-piperazinedione | C34H40N2O9

1-(4-Methoxybenzyl)-3-(2,4,5-trimethoxy-3-methylbenzyl)-6-(2,4,5-trimethoxy-3-methylbenzylidene)-2,5-piperazinedione

  • Molecular FormulaC34H40N2O9
  • Average mass620.689 Da
  • Monoisotopic mass620.273376 Da
  • ChemSpider ID319716

More details:

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

1-(4-Methoxybenzyl)-3-(2,4,5-trimethoxy-3-methylbenzyl)-6-(2,4,5-trimethoxy-3-methylbenzyliden)-2,5-piperazindion [German] [ACD/IUPAC Name]
1-(4-Methoxybenzyl)-3-(2,4,5-trimethoxy-3-methylbenzyl)-6-(2,4,5-trimethoxy-3-methylbenzylidene)-2,5-piperazinedione [ACD/IUPAC Name]
1-(4-Méthoxybenzyl)-3-(2,4,5-triméthoxy-3-méthylbenzyl)-6-(2,4,5-triméthoxy-3-méthylbenzylidène)-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 1-[(4-methoxyphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-6-[(2,4,5-trimethoxy-3-methylphenyl)methylene]- [ACD/Index Name]

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

NCI60_006411 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 828.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 454.9±34.3 °C
Index of Refraction: 1.583
Molar Refractivity: 171.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 968.29
ACD/KOC (pH 5.5): 4775.11
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 968.08
ACD/KOC (pH 7.4): 4774.06
Polar Surface Area: 114 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 511.5±3.0 cm3

Click to predict properties on the Chemicalize site


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