ChemSpider 2D Image | ethyl 5-[4-(acetyloxy)phenyl]-2-[4-(dimethylamino)benzylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C27H27N3O5S

ethyl 5-[4-(acetyloxy)phenyl]-2-[4-(dimethylamino)benzylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC27H27N3O5S
  • Average mass505.585 Da
  • Monoisotopic mass505.167145 Da
  • ChemSpider ID13001729

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-5-(4-Acétoxyphényl)-2-[4-(diméthylamino)benzylidène]-7-méthyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 5-[4-(acetyloxy)phenyl]-2-[[4-(dimethylamino)phenyl]methylene]-2,3-dihydro-7-methyl-3-oxo-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-5-(4-acetoxyphenyl)-2-[4-(dimethylamino)benzylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
ethyl 5-[4-(acetyloxy)phenyl]-2-[4-(dimethylamino)benzylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Ethyl-(2E)-5-(4-acetoxyphenyl)-2-[4-(dimethylamino)benzyliden]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
313966-31-3 [RN]
ethyl (2E)-5-(4-acetyloxyphenyl)-2-[[4-(dimethylamino)phenyl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl (2E)-5-[4-(acetyloxy)phenyl]-2-[4-(dimethylamino)benzylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.3±0.1 g/cm3
    Boiling Point: 650.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.9±3.0 kJ/mol
    Flash Point: 347.4±34.3 °C
    Index of Refraction: 1.629
    Molar Refractivity: 140.0±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 5.39
    ACD/LogD (pH 5.5): 4.00
    ACD/BCF (pH 5.5): 645.09
    ACD/KOC (pH 5.5): 3562.76
    ACD/LogD (pH 7.4): 4.00
    ACD/BCF (pH 7.4): 649.96
    ACD/KOC (pH 7.4): 3589.67
    Polar Surface Area: 114 Å2
    Polarizability: 55.5±0.5 10-24cm3
    Surface Tension: 47.3±7.0 dyne/cm
    Molar Volume: 393.9±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement