ChemSpider 2D Image | 2-Hydroxy-4-[(4-{(5E)-5-[(2Z)-2-methyl-3-phenyl-2-propen-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoyl)amino]benzoic acid | C24H22N2O5S2

2-Hydroxy-4-[(4-{(5E)-5-[(2Z)-2-methyl-3-phenyl-2-propen-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoyl)amino]benzoic acid

  • Molecular FormulaC24H22N2O5S2
  • Average mass482.572 Da
  • Monoisotopic mass482.097015 Da
  • ChemSpider ID120325660

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Hydroxy-4-[(4-{(5E)-5-[(2Z)-2-methyl-3-phenyl-2-propen-1-yliden]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoyl)amino]benzoesäure [German] [ACD/IUPAC Name]
2-Hydroxy-4-[(4-{(5E)-5-[(2Z)-2-methyl-3-phenyl-2-propen-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoyl)amino]benzoic acid [ACD/IUPAC Name]
Acide 2-hydroxy-4-[(4-{(5E)-5-[(2Z)-2-méthyl-3-phényl-2-propén-1-ylidène]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoyl)amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-4-[[4-[(5E)-5-[(2Z)-2-methyl-3-phenyl-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidinyl]-1-oxobutyl]amino]- [ACD/Index Name]
1164500-72-4 [RN]
ML 145

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.719
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 1.02
ACD/KOC (pH 5.5): 5.28
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.03
Polar Surface Area: 164 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 82.6±5.0 dyne/cm
Molar Volume: 330.5±5.0 cm3

Click to predict properties on the Chemicalize site


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