ChemSpider 2D Image | 2-({[4-(3-Methoxypropoxy)-3-methyl-2-pyridinyl]methyl}sulfinyl)(4,5,6,7-~2~H_4_)-1H-benzimidazole | C18H17D4N3O3S

2-({[4-(3-Methoxypropoxy)-3-methyl-2-pyridinyl]methyl}sulfinyl)(4,5,6,7-2H4)-1H-benzimidazole

  • Molecular FormulaC18H17D4N3O3S
  • Average mass363.467 Da
  • Monoisotopic mass363.155457 Da
  • ChemSpider ID48063293

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Benzimidazole-4,5,6,7-d4, 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]- [ACD/Index Name]
2-({[4-(3-Methoxypropoxy)-3-methyl-2-pyridinyl]methyl}sulfinyl)(4,5,6,7-2H4)-1H-benzimidazol [German] [ACD/IUPAC Name]
2-({[4-(3-Methoxypropoxy)-3-methyl-2-pyridinyl]methyl}sulfinyl)(4,5,6,7-2H4)-1H-benzimidazole [ACD/IUPAC Name]
2-({[4-(3-Méthoxypropoxy)-3-méthyl-2-pyridinyl]méthyl}sulfinyl)(4,5,6,7-2H4)-1H-benzimidazole [French] [ACD/IUPAC Name]
4,5,6,7-tetradeuterio-2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]-1H-benzimidazole
934295-48-4 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 603.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 89.8±3.0 kJ/mol
    Flash Point: 319.1±34.3 °C
    Index of Refraction: 1.655
    Molar Refractivity: 98.7±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 1.83
    ACD/LogD (pH 5.5): 1.77
    ACD/BCF (pH 5.5): 12.65
    ACD/KOC (pH 5.5): 207.97
    ACD/LogD (pH 7.4): 1.81
    ACD/BCF (pH 7.4): 13.94
    ACD/KOC (pH 7.4): 229.13
    Polar Surface Area: 96 Å2
    Polarizability: 39.1±0.5 10-24cm3
    Surface Tension: 72.7±5.0 dyne/cm
    Molar Volume: 269.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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