ChemSpider 2D Image | 8-(4-Benzyl-1-piperidinyl)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione | C28H33N5O5

8-(4-Benzyl-1-piperidinyl)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC28H33N5O5
  • Average mass519.592 Da
  • Monoisotopic mass519.248169 Da
  • ChemSpider ID3069287

More details:

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

1H-Purine-2,6-dione, 3,7-dihydro-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-[4-(phenylmethyl)-1-piperidinyl]- [ACD/Index Name]
2H-purin-2-one, 3,7-dihydro-6-hydroxy-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-[4-(phenylmethyl)-1-piperidinyl]-
8-(4-Benzyl-1-piperidinyl)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-(4-Benzyl-1-piperidinyl)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-(4-Benzyl-1-pipéridinyl)-7-[2-hydroxy-3-(4-méthoxyphénoxy)propyl]-3-méthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
8-(4-benzylpiperidin-1-yl)-6-hydroxy-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one
8-(4-Benzyl-piperidin-1-yl)-6-hydroxy-7-[2-hydroxy-3-(4-methoxy-phenoxy)-propyl]-3-methyl-3,7-dihydro-purin-2-one
8-(4-benzylpiperidin-1-yl)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-(4-benzylpiperidin-1-yl)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione
849923-86-0 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.658
    Molar Refractivity: 141.8±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 3.51
    ACD/LogD (pH 5.5): 3.38
    ACD/BCF (pH 5.5): 218.24
    ACD/KOC (pH 5.5): 1643.61
    ACD/LogD (pH 7.4): 3.38
    ACD/BCF (pH 7.4): 217.44
    ACD/KOC (pH 7.4): 1637.60
    Polar Surface Area: 109 Å2
    Polarizability: 56.2±0.5 10-24cm3
    Surface Tension: 54.0±7.0 dyne/cm
    Molar Volume: 385.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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