ChemSpider 2D Image | 5-{[3-(3-Fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-3-(tetrahydro-2-furanylmethyl)-2-thioxo-1,3-thiazolidin-4-one | C27H26FN3O3S2

5-{[3-(3-Fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-3-(tetrahydro-2-furanylmethyl)-2-thioxo-1,3-thiazolidin-4-one

  • Molecular FormulaC27H26FN3O3S2
  • Average mass523.642 Da
  • Monoisotopic mass523.139954 Da
  • ChemSpider ID2989998

More details:

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

4-Thiazolidinone, 5-[[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-[(tetrahydro-2-furanyl)methyl]-2-thioxo- [ACD/Index Name]
5-{[3-(3-Fluor-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylen}-3-(tetrahydro-2-furanylmethyl)-2-thioxo-1,3-thiazolidin-4-on [German] [ACD/IUPAC Name]
5-{[3-(3-Fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-3-(tetrahydro-2-furanylmethyl)-2-thioxo-1,3-thiazolidin-4-one [ACD/IUPAC Name]
5-{[3-(3-Fluoro-4-propoxyphényl)-1-phényl-1H-pyrazol-4-yl]méthylène}-3-(tétrahydro-2-furanylméthyl)-2-thioxo-1,3-thiazolidin-4-one [French] [ACD/IUPAC 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: 683.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 367.1±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 143.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1591.35
ACD/KOC (pH 5.5): 6814.31
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1591.35
ACD/KOC (pH 7.4): 6814.31
Polar Surface Area: 114 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 385.9±7.0 cm3

Click to predict properties on the Chemicalize site


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