ChemSpider 2D Image | 1-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-6-methyl-4-(2,3,4-trifluorophenyl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one | C19H20F3N3O2S

1-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-6-methyl-4-(2,3,4-trifluorophenyl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one

  • Molecular FormulaC19H20F3N3O2S
  • Average mass411.441 Da
  • Monoisotopic mass411.122833 Da
  • ChemSpider ID32080484

More details:

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

1-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-6-methyl-4-(2,3,4-trifluorophenyl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one [ACD/IUPAC Name]
1-(2,2-Diméthyltétrahydro-2H-pyran-4-yl)-6-méthyl-4-(2,3,4-trifluorophényl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one [French] [ACD/IUPAC Name]
1-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-6-methyl-4-(2,3,4-trifluorphenyl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-on [German] [ACD/IUPAC Name]
Pyrazolo[3,4-d][1,3]thiazin-3(2H)-one, 1,4-dihydro-6-methyl-1-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-4-(2,3,4-trifluorophenyl)- [ACD/Index Name]
1-(2,2-dimethyloxan-4-yl)-6-methyl-4-(2,3,4-trifluorophenyl)-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one
1574409-40-7 [RN]
MCULE-1901808319
MolPort-028-852-523
MolPort-029-999-755
STL409197

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 465.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.5±3.0 kJ/mol
    Flash Point: 235.5±28.7 °C
    Index of Refraction: 1.647
    Molar Refractivity: 99.6±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.73
    ACD/LogD (pH 5.5): 3.42
    ACD/BCF (pH 5.5): 231.96
    ACD/KOC (pH 5.5): 1715.04
    ACD/LogD (pH 7.4): 3.32
    ACD/BCF (pH 7.4): 184.86
    ACD/KOC (pH 7.4): 1366.79
    Polar Surface Area: 85 Å2
    Polarizability: 39.5±0.5 10-24cm3
    Surface Tension: 44.8±7.0 dyne/cm
    Molar Volume: 274.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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