ChemSpider 2D Image | 6-[(5E)-5-(3,4-Dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)hexanamide | C22H25N3O4S3

6-[(5E)-5-(3,4-Dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)hexanamide

  • Molecular FormulaC22H25N3O4S3
  • Average mass491.647 Da
  • Monoisotopic mass491.100708 Da
  • ChemSpider ID23922116

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Thiazolidinehexanamide, 5-[(3,4-dimethoxyphenyl)methylene]-N-(4-methyl-2-thiazolyl)-4-oxo-2-thioxo-, (5E)- [ACD/Index Name]
6-[(5E)-5-(3,4-Dimethoxybenzyliden)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)hexanamid [German] [ACD/IUPAC Name]
6-[(5E)-5-(3,4-Dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)hexanamide [ACD/IUPAC Name]
6-[(5E)-5-(3,4-Diméthoxybenzylidène)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(4-méthyl-1,3-thiazol-2-yl)hexanamide [French] [ACD/IUPAC Name]
6-[5-(3,4-Dimethoxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-hexanoic acid (4-methyl-thiazol-2-yl)-amide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 131.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 121.84
ACD/KOC (pH 5.5): 1081.50
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 121.79
ACD/KOC (pH 7.4): 1081.09
Polar Surface Area: 166 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 70.1±5.0 dyne/cm
Molar Volume: 356.8±5.0 cm3

Click to predict properties on the Chemicalize site


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