ChemSpider 2D Image | 3-Methyl-1-(2-methyl-2-propanyl)-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate | C24H27N3O7S

3-Methyl-1-(2-methyl-2-propanyl)-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate

  • Molecular FormulaC24H27N3O7S
  • Average mass501.552 Da
  • Monoisotopic mass501.156982 Da
  • ChemSpider ID1612200

More details:

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

3,4,5-Triméthoxybenzoate de 3-méthyl-1-(2-méthyl-2-propanyl)-4-[(2-nitrophényl)sulfanyl]-1H-pyrazol-5-yle [French] [ACD/IUPAC Name]
3-Methyl-1-(2-methyl-2-propanyl)-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
3-Methyl-1-(2-methyl-2-propanyl)-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, 1-(1,1-dimethylethyl)-3-methyl-4-[(2-nitrophenyl)thio]-1H-pyrazol-5-yl ester [ACD/Index Name]
[2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanylpyrazol-3-yl] 3,4,5-trimethoxybenzoate
1-(tert-butyl)-3-methyl-4-((2-nitrophenyl)thio)-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate
851127-63-4 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 559.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.1±3.0 kJ/mol
    Flash Point: 292.0±30.1 °C
    Index of Refraction: 1.589
    Molar Refractivity: 131.6±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 3
    ACD/LogP: 6.07
    ACD/LogD (pH 5.5): 5.45
    ACD/BCF (pH 5.5): 8129.90
    ACD/KOC (pH 5.5): 21899.25
    ACD/LogD (pH 7.4): 5.45
    ACD/BCF (pH 7.4): 8129.92
    ACD/KOC (pH 7.4): 21899.28
    Polar Surface Area: 143 Å2
    Polarizability: 52.2±0.5 10-24cm3
    Surface Tension: 44.6±7.0 dyne/cm
    Molar Volume: 390.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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