ChemSpider 2D Image | 5-(3-Fluorophenyl)-3-stearoylpyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione | C29H40FN3O3

5-(3-Fluorophenyl)-3-stearoylpyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione

  • Molecular FormulaC29H40FN3O3
  • Average mass497.645 Da
  • Monoisotopic mass497.305359 Da
  • ChemSpider ID24671601

More details:

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

5-(3-Fluorophenyl)-3-stearoylpyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione [ACD/IUPAC Name]
5-(3-Fluorophényl)-3-stearoylpyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione [French] [ACD/IUPAC Name]
5-(3-Fluorphenyl)-3-stearoylpyrrolo[3,4-c]pyrazol-4,6(1H,5H)-dion [German] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione, 5-(3-fluorophenyl)-3-(1-oxooctadecyl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 660.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.2±34.3 °C
Index of Refraction: 1.546
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 8.30
ACD/LogD (pH 5.5): 8.15
ACD/BCF (pH 5.5): 751111.31
ACD/KOC (pH 5.5): 435559.16
ACD/LogD (pH 7.4): 6.80
ACD/BCF (pH 7.4): 33569.45
ACD/KOC (pH 7.4): 19466.46
Polar Surface Area: 83 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 438.2±3.0 cm3

Click to predict properties on the Chemicalize site


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