ChemSpider 2D Image | Benzyl [9-(4-ethoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate | C27H29N5O5

Benzyl [9-(4-ethoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate

  • Molecular FormulaC27H29N5O5
  • Average mass503.550 Da
  • Monoisotopic mass503.216858 Da
  • ChemSpider ID3124885

More details:

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

[9-(4-Éthoxyphényl)-1,7-diméthyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acétate de benzyle [French] [ACD/IUPAC Name]
Benzyl [9-(4-ethoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate [ACD/IUPAC Name]
Benzyl-[9-(4-ethoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetat [German] [ACD/IUPAC Name]
Pyrimido[2,1-f]purine-3(2H)-acetic acid, 9-(4-ethoxyphenyl)-1,4,6,7,8,9-hexahydro-1,7-dimethyl-2,4-dioxo-, phenylmethyl ester [ACD/Index Name]
847036-06-0 [RN]
benzyl 2-(9-(4-ethoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 704.9±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.1±3.0 kJ/mol
    Flash Point: 380.1±35.7 °C
    Index of Refraction: 1.659
    Molar Refractivity: 137.9±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 4.67
    ACD/LogD (pH 5.5): 4.26
    ACD/BCF (pH 5.5): 1001.12
    ACD/KOC (pH 5.5): 4850.16
    ACD/LogD (pH 7.4): 4.27
    ACD/BCF (pH 7.4): 1030.30
    ACD/KOC (pH 7.4): 4991.54
    Polar Surface Area: 97 Å2
    Polarizability: 54.7±0.5 10-24cm3
    Surface Tension: 53.5±7.0 dyne/cm
    Molar Volume: 374.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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