ChemSpider 2D Image | MFCD01246423 | C25H21BrN2O5S

MFCD01246423

  • Molecular FormulaC25H21BrN2O5S
  • Average mass541.414 Da
  • Monoisotopic mass540.035461 Da
  • ChemSpider ID13001733

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-(2-Acétoxy-5-bromobenzylidène)-7-méthyl-3-oxo-5-phényl-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, 2-[[2-(acetyloxy)-5-bromophenyl]methylene]-2,3-dihydro-7-methyl-3-oxo-5-phenyl-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-2-(2-acetoxy-5-bromobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
ethyl (2E)-2-[2-(acetyloxy)-5-bromobenzylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Ethyl-(2E)-2-(2-acetoxy-5-brombenzyliden)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
MFCD01246423
(E)-ethyl 2-(2-acetoxy-5-bromobenzylidene)-7-methyl-3-oxo-5-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
313966-36-8 [RN]
ethyl (2E)-2-[(2-acetyloxy-5-bromophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 641.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 94.7±3.0 kJ/mol
    Flash Point: 342.0±34.3 °C
    Index of Refraction: 1.659
    Molar Refractivity: 134.7±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 5.95
    ACD/LogD (pH 5.5): 4.94
    ACD/BCF (pH 5.5): 3329.03
    ACD/KOC (pH 5.5): 11557.65
    ACD/LogD (pH 7.4): 4.94
    ACD/BCF (pH 7.4): 3329.03
    ACD/KOC (pH 7.4): 11557.65
    Polar Surface Area: 111 Å2
    Polarizability: 53.4±0.5 10-24cm3
    Surface Tension: 51.8±7.0 dyne/cm
    Molar Volume: 365.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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