ChemSpider 2D Image | 3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-[4-(hexyloxy)-3-methoxybenzylidene]-2-thioxo-1,3-thiazolidin-4-one | C28H31N3O4S2

3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-[4-(hexyloxy)-3-methoxybenzylidene]-2-thioxo-1,3-thiazolidin-4-one

  • Molecular FormulaC28H31N3O4S2
  • Average mass537.693 Da
  • Monoisotopic mass537.175598 Da
  • ChemSpider ID4355610

More details:

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

3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-[4-(hexyloxy)-3-methoxybenzyliden]-2-thioxo-1,3-thiazolidin-4-on [German] [ACD/IUPAC Name]
3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-[4-(hexyloxy)-3-methoxybenzylidene]-2-thioxo-1,3-thiazolidin-4-one [ACD/IUPAC Name]
3-(1,5-Diméthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazol-4-yl)-5-[4-(hexyloxy)-3-méthoxybenzylidène]-2-thioxo-1,3-thiazolidin-4-one [French] [ACD/IUPAC Name]
4-Thiazolidinone, 3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-5-[[4-(hexyloxy)-3-methoxyphenyl]methylene]-2-thioxo- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 643.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.8±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 151.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1770.95
ACD/KOC (pH 5.5): 7356.35
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1770.98
ACD/KOC (pH 7.4): 7356.45
Polar Surface Area: 120 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 401.6±5.0 cm3

Click to predict properties on the Chemicalize site


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