ChemSpider 2D Image | 4-[(Z)-{(5Z)-5-[3,5-Dichloro-4-(2-propyn-1-yloxy)benzylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino]benzoic acid | C21H14Cl2N2O4S

4-[(Z)-{(5Z)-5-[3,5-Dichloro-4-(2-propyn-1-yloxy)benzylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino]benzoic acid

  • Molecular FormulaC21H14Cl2N2O4S
  • Average mass461.318 Da
  • Monoisotopic mass460.005127 Da
  • ChemSpider ID31003861

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(Z)-{(5Z)-5-[3,5-Dichlor-4-(2-propin-1-yloxy)benzyliden]-3-methyl-4-oxo-1,3-thiazolidin-2-yliden}amino]benzoesäure [German] [ACD/IUPAC Name]
4-[(Z)-{(5Z)-5-[3,5-Dichloro-4-(2-propyn-1-yloxy)benzylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino]benzoic acid [ACD/IUPAC Name]
Acide 4-[(Z)-{(5Z)-5-[3,5-dichloro-4-(2-propyn-1-yloxy)benzylidène]-3-méthyl-4-oxo-1,3-thiazolidin-2-ylidène}amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(2Z,5Z)-5-[[3,5-dichloro-4-(2-propyn-1-yloxy)phenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]- [ACD/Index Name]
BJJVDKNJTZUHNA-NUIIPWOLSA-N

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

Density: 1.4±0.1 g/cm3
Boiling Point: 666.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 356.8±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 119.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 293.07
ACD/KOC (pH 5.5): 922.51
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 7.21
ACD/KOC (pH 7.4): 22.70
Polar Surface Area: 105 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 330.1±7.0 cm3

Click to predict properties on the Chemicalize site


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