ChemSpider 2D Image | Ethyl 2-({[(5Z)-5-(3-bromo-4,5-dimethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C25H25BrN2O7S2

Ethyl 2-({[(5Z)-5-(3-bromo-4,5-dimethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC25H25BrN2O7S2
  • Average mass609.509 Da
  • Monoisotopic mass608.028625 Da
  • ChemSpider ID17540453

  • Double-bond stereo - Double-bond stereo

More details:

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

2-({2-[(5Z)-5-(3-Bromo-4,5-diméthoxybenzylidène)-2,4-dioxo-1,3-thiazolidin-3-yl]acétyl}amino)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2-[[2-[(5Z)-5-[(3-bromo-4,5-dimethoxyphenyl)methylene]-2,4-dioxo-3-thiazolidinyl]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester [ACD/Index Name]
Ethyl 2-({[(5Z)-5-(3-bromo-4,5-dimethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-({[(5Z)-5-(3-brom-4,5-dimethoxybenzyliden)-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]

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: 1.674
Molar Refractivity: 147.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6018.06
ACD/KOC (pH 5.5): 17657.38
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6017.91
ACD/KOC (pH 7.4): 17656.96
Polar Surface Area: 165 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 65.4±3.0 dyne/cm
Molar Volume: 393.5±3.0 cm3

Click to predict properties on the Chemicalize site


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