ChemSpider 2D Image | 4-Amino-2-{(5E)-5-[3-ethoxy-4-(2-nonanyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-4-oxobutanoic acid | C25H34N2O6S2

4-Amino-2-{(5E)-5-[3-ethoxy-4-(2-nonanyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-4-oxobutanoic acid

  • Molecular FormulaC25H34N2O6S2
  • Average mass522.677 Da
  • Monoisotopic mass522.185852 Da
  • ChemSpider ID12243000

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Thiazolidineacetic acid, α-(2-amino-2-oxoethyl)-5-[[3-ethoxy-4-[(1-methyloctyl)oxy]phenyl]methylene]-4-oxo-2-thioxo-, (5E)- [ACD/Index Name]
4-Amino-2-{(5E)-5-[3-ethoxy-4-(2-nonanyloxy)benzyliden]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-4-oxobutansäure [German] [ACD/IUPAC Name]
4-Amino-2-{(5E)-5-[3-ethoxy-4-(2-nonanyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-4-oxobutanoic acid [ACD/IUPAC Name]
4-Amino-2-{(5E)-5-[3-ethoxy-4-(nonan-2-yloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-4-oxobutanoic acid
Acide 4-amino-2-{(5E)-5-[3-éthoxy-4-(2-nonanyloxy)benzylidène]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-4-oxobutanoïque [French] [ACD/IUPAC Name]
3-carbamoyl-2-(5-{[3-ethoxy-4-(methyloctyloxy)phenyl]methylene}-4-oxo-2-thioxo(1,3-thiazolidin-3-yl))propanoic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 714.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 385.8±35.7 °C
Index of Refraction: 1.612
Molar Refractivity: 140.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 21.70
ACD/KOC (pH 5.5): 78.92
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.81
Polar Surface Area: 177 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 403.5±5.0 cm3

Click to predict properties on the Chemicalize site


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