ChemSpider 2D Image | 2,5-Dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl 3,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbimidothioate | C29H28N4O3S

2,5-Dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl 3,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbimidothioate

  • Molecular FormulaC29H28N4O3S
  • Average mass512.623 Da
  • Monoisotopic mass512.188232 Da
  • ChemSpider ID17744643

More details:

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

1H-Pyrazole-1-carboximidothioic acid, 4,5-dihydro-3,5-diphenyl-, 2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl ester [ACD/Index Name]
2,5-Dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl 3,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbimidothioate [ACD/IUPAC Name]
2,5-Dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-carbimidothioat [German] [ACD/IUPAC Name]
3,5-Diphényl-4,5-dihydro-1H-pyrazole-1-carbimidothioate de 2,5-dioxo-1-(4-propoxyphényl)-3-pyrrolidinyle [French] [ACD/IUPAC Name]
[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl] 3,5-diphenyl-3,4-dihydropyrazole-2-carboximidothioate
2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl 3,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbimidothioate
3,5-Diphenyl-4,5-dihydro-pyrazole-1-carboximidothioic acid 2,5-dioxo-1-(4-propoxy-phenyl)-pyrrolidin-3-yl ester
331760-21-5 [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: 735.3±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 107.3±3.0 kJ/mol
    Flash Point: 398.5±35.7 °C
    Index of Refraction: 1.669
    Molar Refractivity: 147.1±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 3.25
    ACD/LogD (pH 5.5): 3.78
    ACD/BCF (pH 5.5): 398.02
    ACD/KOC (pH 5.5): 2237.50
    ACD/LogD (pH 7.4): 3.96
    ACD/BCF (pH 7.4): 606.63
    ACD/KOC (pH 7.4): 3410.24
    Polar Surface Area: 111 Å2
    Polarizability: 58.3±0.5 10-24cm3
    Surface Tension: 53.9±7.0 dyne/cm
    Molar Volume: 394.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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