ChemSpider 2D Image | 4-[(5-Bromo-4-{(Z)-[2,4-dioxo-3-(2-oxo-2-phenylethyl)-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)methyl]benzoic acid | C28H22BrNO7S

4-[(5-Bromo-4-{(Z)-[2,4-dioxo-3-(2-oxo-2-phenylethyl)-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)methyl]benzoic acid

  • Molecular FormulaC28H22BrNO7S
  • Average mass596.446 Da
  • Monoisotopic mass595.030029 Da
  • ChemSpider ID4778266

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(5-Brom-4-{(Z)-[2,4-dioxo-3-(2-oxo-2-phenylethyl)-1,3-thiazolidin-5-yliden]methyl}-2-ethoxyphenoxy)methyl]benzoesäure [German] [ACD/IUPAC Name]
4-[(5-Bromo-4-{(Z)-[2,4-dioxo-3-(2-oxo-2-phenylethyl)-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)methyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[(5-bromo-4-{(Z)-[2,4-dioxo-3-(2-oxo-2-phényléthyl)-1,3-thiazolidin-5-ylidène]méthyl}-2-éthoxyphénoxy)méthyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[5-bromo-4-[(Z)-[2,4-dioxo-3-(2-oxo-2-phenylethyl)-5-thiazolidinylidene]methyl]-2-ethoxyphenoxy]methyl]- [ACD/Index Name]
1-Methylcyclopropanecarbohydrazide [ACD/IUPAC Name]
4-{5-Bromo-4-[2,4-dioxo-3-(2-oxo-2-phenyl-ethyl)-thiazolidin-5-ylidenemethyl]-2-ethoxy-phenoxymethyl}-benzoic acid
497836-10-9 [RN]
D77
D-77

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

Density: 1.5±0.1 g/cm3
Boiling Point: 762.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 415.2±35.7 °C
Index of Refraction: 1.681
Molar Refractivity: 147.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.88
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 264.47
ACD/KOC (pH 5.5): 769.17
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 7.81
ACD/KOC (pH 7.4): 22.72
Polar Surface Area: 136 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 391.0±3.0 cm3

Click to predict properties on the Chemicalize site


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