ChemSpider 2D Image | 2-[(2Z,5Z)-5-[2-(Benzyloxy)benzylidene]-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-cyclooctylacetamide | C33H40N2O4S

2-[(2Z,5Z)-5-[2-(Benzyloxy)benzylidene]-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-cyclooctylacetamide

  • Molecular FormulaC33H40N2O4S
  • Average mass560.747 Da
  • Monoisotopic mass560.270874 Da
  • ChemSpider ID5018453

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(2Z,5Z)-5-[2-(Benzyloxy)benzyliden]-2-(3,3-dimethyl-2-oxobutyliden)-4-oxo-1,3-thiazolidin-3-yl]-N-cyclooctylacetamid [German] [ACD/IUPAC Name]
2-[(2Z,5Z)-5-[2-(Benzyloxy)benzylidene]-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-cyclooctylacetamide [ACD/IUPAC Name]
2-[(2Z,5Z)-5-[2-(Benzyloxy)benzylidène]-2-(3,3-diméthyl-2-oxobutylidène)-4-oxo-1,3-thiazolidin-3-yl]-N-cyclooctylacétamide [French] [ACD/IUPAC Name]
3-Thiazolidineacetamide, N-cyclooctyl-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-[[2-(phenylmethoxy)phenyl]methylene]-, (2Z,5Z)- [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: 781.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 426.7±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 161.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.48
ACD/LogD (pH 5.5): 6.66
ACD/BCF (pH 5.5): 68468.86
ACD/KOC (pH 5.5): 100652.99
ACD/LogD (pH 7.4): 6.66
ACD/BCF (pH 7.4): 68468.86
ACD/KOC (pH 7.4): 100652.99
Polar Surface Area: 101 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 464.4±5.0 cm3

Click to predict properties on the Chemicalize site


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