ChemSpider 2D Image | 7-Benzyl-8-{(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione | C22H22N6O3

7-Benzyl-8-{(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC22H22N6O3
  • Average mass418.448 Da
  • Monoisotopic mass418.175354 Da
  • ChemSpider ID17768610

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Purine-2,6-dione, 3,7-dihydro-8-[(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-1,3-dimethyl-7-(phenylmethyl)- [ACD/Index Name]
7-Benzyl-8-{(2Z)-2-[1-(4-hydroxyphenyl)ethyliden]hydrazino}-1,3-dimethyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
7-Benzyl-8-{(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
7-Benzyl-8-{(2Z)-2-[1-(4-hydroxyphényl)éthylidène]hydrazino}-1,3-diméthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
(Z)-7-benzyl-8-(2-(1-(4-hydroxyphenyl)ethylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
332388-43-9 [RN]
7-BENZYL-8-[(2Z)-2-[1-(4-HYDROXYPHENYL)ETHYLIDENE]HYDRAZINYL]-1,3-DIMETHYLPURINE-2,6-DIONE
7-benzyl-8-{(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 666.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 101.5±3.0 kJ/mol
    Flash Point: 356.6±34.3 °C
    Index of Refraction: 1.682
    Molar Refractivity: 116.8±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.50
    ACD/LogD (pH 5.5): 3.62
    ACD/BCF (pH 5.5): 329.97
    ACD/KOC (pH 5.5): 2209.23
    ACD/LogD (pH 7.4): 3.61
    ACD/BCF (pH 7.4): 324.20
    ACD/KOC (pH 7.4): 2170.61
    Polar Surface Area: 103 Å2
    Polarizability: 46.3±0.5 10-24cm3
    Surface Tension: 55.4±7.0 dyne/cm
    Molar Volume: 308.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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