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

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

  • Molecular FormulaC25H34N2O6S2
  • Average mass522.677 Da
  • Monoisotopic mass522.185852 Da
  • ChemSpider ID3949133

More details:

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

3-Thiazolidineacetic acid, α-(3-amino-3-oxopropyl)-5-[[3-ethoxy-4-(octyloxy)phenyl]methylene]-4-oxo-2-thioxo- [ACD/Index Name]
5-Amino-2-{5-[3-ethoxy-4-(octyloxy)benzyliden]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-5-oxopentansäure [German] [ACD/IUPAC Name]
5-Amino-2-{5-[3-ethoxy-4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-5-oxopentanoic acid [ACD/IUPAC Name]
Acide 5-amino-2-{5-[3-éthoxy-4-(octyloxy)benzylidène]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-5-oxopentanoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 732.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 396.9±35.7 °C
Index of Refraction: 1.614
Molar Refractivity: 140.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 12.23
ACD/KOC (pH 5.5): 46.05
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.23
Polar Surface Area: 177 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 402.9±5.0 cm3

Click to predict properties on the Chemicalize site


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