ChemSpider 2D Image | 3-({(2E,5Z)-3-Cyclohexyl-5-[3-methoxy-4-(octyloxy)benzylidene]-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid | C32H40N2O5S

3-({(2E,5Z)-3-Cyclohexyl-5-[3-methoxy-4-(octyloxy)benzylidene]-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid

  • Molecular FormulaC32H40N2O5S
  • Average mass564.735 Da
  • Monoisotopic mass564.265808 Da
  • ChemSpider ID11939839
  • Double-bond stereo - Double-bond stereo


More details:






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

3-({(2E,5Z)-3-Cyclohexyl-5-[3-methoxy-4-(octyloxy)benzylidene]-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid
3-[(E)-{(5Z)-3-Cyclohexyl-5-[3-methoxy-4-(octyloxy)benzyliden]-4-oxo-1,3-thiazolidin-2-yliden}amino]benzoesäure [German] [ACD/IUPAC Name]
3-[(E)-{(5Z)-3-Cyclohexyl-5-[3-methoxy-4-(octyloxy)benzylidene]-4-oxo-1,3-thiazolidin-2-ylidene}amino]benzoic acid [ACD/IUPAC Name]
Acide 3-[(E)-{(5Z)-3-cyclohexyl-5-[3-méthoxy-4-(octyloxy)benzylidène]-4-oxo-1,3-thiazolidin-2-ylidène}amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[(2E,5Z)-3-cyclohexyl-5-[[3-methoxy-4-(octyloxy)phenyl]methylene]-4-oxo-2-thiazolidinylidene]amino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 718.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 388.1±35.7 °C
Index of Refraction: 1.601
Molar Refractivity: 159.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 9.79
ACD/LogD (pH 5.5): 7.07
ACD/BCF (pH 5.5): 61226.59
ACD/KOC (pH 5.5): 34895.81
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 2137.09
ACD/KOC (pH 7.4): 1218.03
Polar Surface Area: 114 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 465.9±7.0 cm3

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