ChemSpider 2D Image | 3-(4-Fluorophenyl)-6,7-dimethoxy-3a,4-dihydroindeno[1,2-c]pyrazole-2(3H)-carbothioamide | C19H18FN3O2S

3-(4-Fluorophenyl)-6,7-dimethoxy-3a,4-dihydroindeno[1,2-c]pyrazole-2(3H)-carbothioamide

  • Molecular FormulaC19H18FN3O2S
  • Average mass371.428 Da
  • Monoisotopic mass371.110382 Da
  • ChemSpider ID26613005

More details:

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

3-(4-Fluorophenyl)-6,7-dimethoxy-3a,4-dihydroindeno[1,2-c]pyrazole-2(3H)-carbothioamide [ACD/IUPAC Name]
3-(4-Fluorophényl)-6,7-diméthoxy-3a,4-dihydroindéno[1,2-c]pyrazole-2(3H)-carbothioamide [French] [ACD/IUPAC Name]
3-(4-Fluorphenyl)-6,7-dimethoxy-3a,4-dihydroindeno[1,2-c]pyrazol-2(3H)-carbothioamid [German] [ACD/IUPAC Name]
Indeno[1,2-c]pyrazole-2(3H)-carbothioamide, 3-(4-fluorophenyl)-3a,4-dihydro-6,7-dimethoxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 529.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 274.1±32.9 °C
Index of Refraction: 1.684
Molar Refractivity: 98.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 85.83
ACD/KOC (pH 5.5): 842.77
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 85.84
ACD/KOC (pH 7.4): 842.84
Polar Surface Area: 92 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 259.4±7.0 cm3

Click to predict properties on the Chemicalize site


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