ChemSpider 2D Image | 6-(Difluoromethoxy)-2-[({3-methoxy-4-[(~2~H_3_)methyloxy]-2-pyridinyl}methyl)sulfinyl]-1H-benzimidazole | C16H12D3F2N3O4S

6-(Difluoromethoxy)-2-[({3-methoxy-4-[(2H3)methyloxy]-2-pyridinyl}methyl)sulfinyl]-1H-benzimidazole

  • Molecular FormulaC16H12D3F2N3O4S
  • Average mass386.388 Da
  • Monoisotopic mass386.093964 Da
  • ChemSpider ID13078190

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Benzimidazole, 6-(difluoromethoxy)-2-[[[3-methoxy-4-(methyl-d3-oxy)-2-pyridinyl]methyl]sulfinyl]- [ACD/Index Name]
6-(Difluormethoxy)-2-[({3-methoxy-4-[(2H3)methyloxy]-2-pyridinyl}methyl)sulfinyl]-1H-benzimidazol [German] [ACD/IUPAC Name]
6-(Difluoromethoxy)-2-[({3-methoxy-4-[(2H3)methyloxy]-2-pyridinyl}methyl)sulfinyl]-1H-benzimidazole [ACD/IUPAC Name]
6-(Difluorométhoxy)-2-[({3-méthoxy-4-[(2H3)méthyloxy]-2-pyridinyl}méthyl)sulfinyl]-1H-benzimidazole [French] [ACD/IUPAC Name]
6-(difluoromethoxy)-2-[[3-methoxy-4-(trideuteriomethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole
922727-37-5 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 586.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.6±3.0 kJ/mol
    Flash Point: 308.7±32.9 °C
    Index of Refraction: 1.643
    Molar Refractivity: 91.4±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.69
    ACD/LogD (pH 5.5): 1.45
    ACD/BCF (pH 5.5): 7.48
    ACD/KOC (pH 5.5): 146.71
    ACD/LogD (pH 7.4): 1.43
    ACD/BCF (pH 7.4): 7.08
    ACD/KOC (pH 7.4): 138.70
    Polar Surface Area: 106 Å2
    Polarizability: 36.2±0.5 10-24cm3
    Surface Tension: 73.5±5.0 dyne/cm
    Molar Volume: 252.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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