ChemSpider 2D Image | Ethyl 4-({6-[(5Z)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoyl}amino)benzoate | C27H30N2O7S2

Ethyl 4-({6-[(5Z)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoyl}amino)benzoate

  • Molecular FormulaC27H30N2O7S2
  • Average mass558.666 Da
  • Monoisotopic mass558.149414 Da
  • ChemSpider ID11812723

  • Double-bond stereo - Double-bond stereo

More details:

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

4-({6-[(5Z)-5-(4-Hydroxy-3,5-diméthoxybenzylidène)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoyl}amino)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[6-[(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxohexyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-({6-[(5Z)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoyl}amino)benzoate [ACD/IUPAC Name]
Ethyl-4-({6-[(5Z)-5-(4-hydroxy-3,5-dimethoxybenzyliden)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoyl}amino)benzoat [German] [ACD/IUPAC Name]

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: 1.653
Molar Refractivity: 148.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 322.60
ACD/KOC (pH 5.5): 2173.78
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 305.62
ACD/KOC (pH 7.4): 2059.37
Polar Surface Area: 172 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 70.2±5.0 dyne/cm
Molar Volume: 405.3±5.0 cm3

Click to predict properties on the Chemicalize site


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