ChemSpider 2D Image | tegoprazan | C20H19F2N3O3

tegoprazan

  • Molecular FormulaC20H19F2N3O3
  • Average mass387.380 Da
  • Monoisotopic mass387.139435 Da
  • ChemSpider ID44209499

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Benzimidazole-5-carboxamide, 7-[[(4S)-5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-N,N,2-trimethyl- [ACD/Index Name]
4-{[(4S)-5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-yl]oxy}-N,N,2-trimethyl-1H-1,3-benzodiazole-6-carboxamide
7-{[(4S)-5,7-Difluor-3,4-dihydro-2H-chromen-4-yl]oxy}-N,N,2-trimethyl-1H-benzimidazol-5-carboxamid [German] [ACD/IUPAC Name]
7-{[(4S)-5,7-Difluoro-3,4-dihydro-2H-chromen-4-yl]oxy}-N,N,2-trimethyl-1H-benzimidazole-5-carboxamide [ACD/IUPAC Name]
7-{[(4S)-5,7-Difluoro-3,4-dihydro-2H-chromén-4-yl]oxy}-N,N,2-triméthyl-1H-benzimidazole-5-carboxamide [French] [ACD/IUPAC Name]
942195-55-3 [RN]
tegoprazan [INN]
tegoprazán [Spanish] [INN]
tégoprazan [French] [INN]
tegoprazanum [Latin] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10169 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 596.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.9±3.0 kJ/mol
    Flash Point: 314.6±30.1 °C
    Index of Refraction: 1.625
    Molar Refractivity: 99.9±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.42
    ACD/LogD (pH 5.5): 2.68
    ACD/BCF (pH 5.5): 58.06
    ACD/KOC (pH 5.5): 569.42
    ACD/LogD (pH 7.4): 2.85
    ACD/BCF (pH 7.4): 85.26
    ACD/KOC (pH 7.4): 836.18
    Polar Surface Area: 67 Å2
    Polarizability: 39.6±0.5 10-24cm3
    Surface Tension: 55.1±3.0 dyne/cm
    Molar Volume: 282.4±3.0 cm3

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