ChemSpider 2D Image | Ethyl 5-amino-6-cyano-2-(3,4-dimethoxybenzylidene)-7-(3,4-dimethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate | C28H27N3O7S

Ethyl 5-amino-6-cyano-2-(3,4-dimethoxybenzylidene)-7-(3,4-dimethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate

  • Molecular FormulaC28H27N3O7S
  • Average mass549.595 Da
  • Monoisotopic mass549.156982 Da
  • ChemSpider ID2692653

More details:

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

5-Amino-6-cyano-2-(3,4-diméthoxybenzylidène)-7-(3,4-diméthoxyphényl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate d'éthyle [French] [ACD/IUPAC Name]
7H-Thiazolo[3,2-a]pyridine-8-carboxylic acid, 5-amino-6-cyano-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylene]-2,3-dihydro-3-oxo-, ethyl ester [ACD/Index Name]
Ethyl 5-amino-6-cyano-2-(3,4-dimethoxybenzylidene)-7-(3,4-dimethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate [ACD/IUPAC Name]
Ethyl-5-amino-6-cyan-2-(3,4-dimethoxybenzyliden)-7-(3,4-dimethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-8-carboxylat [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: 776.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 423.6±32.9 °C
Index of Refraction: 1.659
Molar Refractivity: 144.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 239.89
ACD/KOC (pH 5.5): 1758.69
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 239.94
ACD/KOC (pH 7.4): 1759.09
Polar Surface Area: 159 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 391.7±5.0 cm3

Click to predict properties on the Chemicalize site


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