ChemSpider 2D Image | N1-METHYL PANTOPRAZOLE | C17H17F2N3O4S

N1-METHYL PANTOPRAZOLE

  • Molecular FormulaC17H17F2N3O4S
  • Average mass397.396 Da
  • Monoisotopic mass397.090790 Da
  • ChemSpider ID19785325

More details:

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

1H-Benzimidazole, 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1-methyl- [ACD/Index Name]
5-(Difluormethoxy)-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl}-1-methyl-1H-benzimidazol [German] [ACD/IUPAC Name]
5-(Difluoromethoxy)-2-(((3,4-dimethoxypyridin-2-yl)methyl)sulfinyl)-1-methyl-1H-benzo[d]imidazole
5-(Difluoromethoxy)-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl}-1-methyl-1H-benzimidazole [ACD/IUPAC Name]
5-(Difluorométhoxy)-2-{[(3,4-diméthoxy-2-pyridinyl)méthyl]sulfinyl}-1-méthyl-1H-benzimidazole [French] [ACD/IUPAC Name]
624742-53-6 [RN]
N1-METHYL PANTOPRAZOLE
1190008-84-4 [RN]
438625-60-6 [RN]
5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-1-methylbenzimidazole
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4CH8A399MM [DBID]
UNII:4CH8A399MM [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 573.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 85.9±3.0 kJ/mol
    Flash Point: 300.3±32.9 °C
    Index of Refraction: 1.617
    Molar Refractivity: 95.4±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.44
    ACD/LogD (pH 5.5): 1.41
    ACD/BCF (pH 5.5): 6.97
    ACD/KOC (pH 5.5): 139.50
    ACD/LogD (pH 7.4): 1.41
    ACD/BCF (pH 7.4): 7.00
    ACD/KOC (pH 7.4): 140.07
    Polar Surface Area: 95 Å2
    Polarizability: 37.8±0.5 10-24cm3
    Surface Tension: 48.9±7.0 dyne/cm
    Molar Volume: 272.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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