ChemSpider 2D Image | 3-(2-Chlorophenyl)-5-methyl-N-[2-(4-phenoxyphenyl)-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide | C28H21ClN4O3S

3-(2-Chlorophenyl)-5-methyl-N-[2-(4-phenoxyphenyl)-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide

  • Molecular FormulaC28H21ClN4O3S
  • Average mass529.009 Da
  • Monoisotopic mass528.102295 Da
  • ChemSpider ID2602588

More details:

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

3-(2-Chlorophenyl)-5-methyl-N-[2-(4-phenoxyphenyl)-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide [ACD/IUPAC Name]
3-(2-Chlorophényl)-5-méthyl-N-[2-(4-phénoxyphényl)-2,6-dihydro-4H-thiéno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide [French] [ACD/IUPAC Name]
3-(2-Chlorphenyl)-5-methyl-N-[2-(4-phenoxyphenyl)-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-1,2-oxazol-4-carboxamid [German] [ACD/IUPAC Name]
4-Isoxazolecarboxamide, 3-(2-chlorophenyl)-N-[2,6-dihydro-2-(4-phenoxyphenyl)-4H-thieno[3,4-c]pyrazol-3-yl]-5-methyl- [ACD/Index Name]
3-(2-chlorophenyl)-5-methyl-n-(2-(4-phenoxyphenyl)-2,6-dihydro-4h-thieno[3,4-c]pyrazol-3-yl)isoxazole-4-carboxamide
3-(2-chlorophenyl)-5-methyl-N-(2-(4-phenoxyphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isoxazole-4-carboxamide
3-(2-chlorophenyl)-5-methyl-N-[2-(4-phenoxyphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide
3-(2-chlorophenyl)-5-methyl-N-[2-(4-phenoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide
361172-39-6 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 659.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 97.0±3.0 kJ/mol
    Flash Point: 352.5±31.5 °C
    Index of Refraction: 1.715
    Molar Refractivity: 145.3±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 6.12
    ACD/LogD (pH 5.5): 5.39
    ACD/BCF (pH 5.5): 7315.11
    ACD/KOC (pH 5.5): 20304.77
    ACD/LogD (pH 7.4): 5.39
    ACD/BCF (pH 7.4): 7315.10
    ACD/KOC (pH 7.4): 20304.75
    Polar Surface Area: 107 Å2
    Polarizability: 57.6±0.5 10-24cm3
    Surface Tension: 56.8±7.0 dyne/cm
    Molar Volume: 369.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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