ChemSpider 2D Image | Ethyl (2Z)-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 (2Z)-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 ID4715500

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-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, (2Z)- [ACD/Index Name]
Ethyl (2Z)-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-(2Z)-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]
(Z)-ethyl 5-amino-6-cyano-2-(3,4-dimethoxybenzylidene)-7-(3,4-dimethoxyphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate
316359-00-9 [RN]
ethyl (2Z)-5-amino-6-cyano-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate

    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): 239.46
    ACD/KOC (pH 5.5): 1755.55
    ACD/LogD (pH 7.4): 3.43
    ACD/BCF (pH 7.4): 239.94
    ACD/KOC (pH 7.4): 1759.05
    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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