ChemSpider 2D Image | 8-[(4-Benzyl-1-piperidinyl)methyl]-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione | C27H29ClFN5O2

8-[(4-Benzyl-1-piperidinyl)methyl]-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC27H29ClFN5O2
  • Average mass510.003 Da
  • Monoisotopic mass509.199371 Da
  • ChemSpider ID2650502

More details:

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

1H-Purine-2,6-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-[[4-(phenylmethyl)-1-piperidinyl]methyl]- [ACD/Index Name]
8-[(4-Benzyl-1-piperidinyl)methyl]-7-(2-chlor-6-fluorbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-[(4-Benzyl-1-piperidinyl)methyl]-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-[(4-Benzyl-1-pipéridinyl)méthyl]-7-(2-chloro-6-fluorobenzyl)-1,3-diméthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
8-[(4-benzylpiperidin-1-yl)methyl]-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
851938-52-8 [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: 647.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.4±3.0 kJ/mol
    Flash Point: 345.1±34.3 °C
    Index of Refraction: 1.658
    Molar Refractivity: 138.9±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 4.33
    ACD/LogD (pH 5.5): 2.84
    ACD/BCF (pH 5.5): 26.32
    ACD/KOC (pH 5.5): 89.75
    ACD/LogD (pH 7.4): 4.51
    ACD/BCF (pH 7.4): 1230.79
    ACD/KOC (pH 7.4): 4197.10
    Polar Surface Area: 62 Å2
    Polarizability: 55.1±0.5 10-24cm3
    Surface Tension: 50.4±7.0 dyne/cm
    Molar Volume: 377.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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