ChemSpider 2D Image | LANSOPRAZOLE-D4 | C16H10D4F3N3O2S

LANSOPRAZOLE-D4

  • Molecular FormulaC16H10D4F3N3O2S
  • Average mass373.386 Da
  • Monoisotopic mass373.100983 Da
  • ChemSpider ID23630272

  • 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-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]- [ACD/Index Name]
2-({[3-Methyl-4-(2,2,2-trifluorethoxy)-2-pyridinyl]methyl}sulfinyl)(4,5,6,7-2H4)-1H-benzimidazol [German] [ACD/IUPAC Name]
2-({[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl}sulfinyl)(4,5,6,7-2H4)-1H-benzimidazole [ACD/IUPAC Name]
2-({[3-Méthyl-4-(2,2,2-trifluoroéthoxy)-2-pyridinyl]méthyl}sulfinyl)(4,5,6,7-2H4)-1H-benzimidazole [French] [ACD/IUPAC Name]
2-({[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl}sulfinyl)(4,5,6,7-2H4)-1H-benzimidazole
2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole-4,5,6,7-d4
934294-22-1 [RN]
LANSOPRAZOLE-D4
2-(2-BENZIMIDAZOLYLSULFINYLMETHYL)-3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)PYRIDINE
2-{[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanesulfinyl}(4,5,6,7-2H4)-1H-benzimidazole
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 555.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.7±3.0 kJ/mol
    Flash Point: 289.9±32.9 °C
    Index of Refraction: 1.635
    Molar Refractivity: 88.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.76
    ACD/LogD (pH 5.5): 2.40
    ACD/BCF (pH 5.5): 38.85
    ACD/KOC (pH 5.5): 475.23
    ACD/LogD (pH 7.4): 2.40
    ACD/BCF (pH 7.4): 39.50
    ACD/KOC (pH 7.4): 483.17
    Polar Surface Area: 87 Å2
    Polarizability: 34.9±0.5 10-24cm3
    Surface Tension: 69.0±5.0 dyne/cm
    Molar Volume: 245.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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