ChemSpider 2D Image | 7-(2,5-Dimethylbenzyl)-8-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione | C28H34N6O3

7-(2,5-Dimethylbenzyl)-8-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC28H34N6O3
  • Average mass502.608 Da
  • Monoisotopic mass502.269226 Da
  • ChemSpider ID4044583

More details:

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

1H-Purine-2,6-dione, 7-[(2,5-dimethylphenyl)methyl]-3,7-dihydro-8-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-1,3-dimethyl- [ACD/Index Name]
7-(2,5-Dimethylbenzyl)-8-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
7-(2,5-Dimethylbenzyl)-8-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
7-(2,5-Diméthylbenzyl)-8-{[4-(4-méthoxyphényl)-1-pipérazinyl]méthyl}-1,3-diméthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
7-(2,5-dimethylbenzyl)-8-((4-(4-methoxyphenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
7-(2,5-dimethylbenzyl)-8-((4-(4-methoxyphenyl)piperazin-1-yl)methyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
7-(2,5-dimethylbenzyl)-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2,5-dimethylphenyl)methyl]-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
7-[(2,5-dimethylphenyl)methyl]-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
851939-11-2 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 695.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.9±3.0 kJ/mol
    Flash Point: 374.6±34.3 °C
    Index of Refraction: 1.648
    Molar Refractivity: 143.8±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 3.56
    ACD/LogD (pH 5.5): 2.69
    ACD/BCF (pH 5.5): 30.92
    ACD/KOC (pH 5.5): 168.50
    ACD/LogD (pH 7.4): 3.92
    ACD/BCF (pH 7.4): 531.45
    ACD/KOC (pH 7.4): 2895.59
    Polar Surface Area: 74 Å2
    Polarizability: 57.0±0.5 10-24cm3
    Surface Tension: 48.7±7.0 dyne/cm
    Molar Volume: 395.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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