ChemSpider 2D Image | 3-({(2Z,5Z)-5-[2-(Carboxymethoxy)benzylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid | C20H16N2O6S

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

  • Molecular FormulaC20H16N2O6S
  • Average mass412.416 Da
  • Monoisotopic mass412.072906 Da
  • ChemSpider ID23470034

  • Double-bond stereo - Double-bond stereo

More details:

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

3-({(2Z,5Z)-5-[2-(Carboxymethoxy)benzylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid
3-[(Z)-[(5z)-5-[[2-(2-Hydroxy-2-Oxoethyloxy)phenyl]methylidene]-3-Methyl-4-Oxidanylidene-1,3-Thiazolidin-2-Ylidene]amino]benzoic Acid
3-[(Z)-{(5Z)-5-[2-(Carboxymethoxy)benzyliden]-3-methyl-4-oxo-1,3-thiazolidin-2-yliden}amino]benzoesäure [German] [ACD/IUPAC Name]
3-[(Z)-{(5Z)-5-[2-(Carboxymethoxy)benzylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino]benzoic acid [ACD/IUPAC Name]
Acide 3-[(Z)-{(5Z)-5-[2-(carboxyméthoxy)benzylidène]-3-méthyl-4-oxo-1,3-thiazolidin-2-ylidène}amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[(2Z,5Z)-5-[[2-(carboxymethoxy)phenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]- [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: 669.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 358.8±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 107.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): -1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 58.8±7.0 dyne/cm
Molar Volume: 290.9±7.0 cm3

Click to predict properties on the Chemicalize site


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