ChemSpider 2D Image | ethyl (2E)-5-(4-tert-butylphenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C27H27N3O5S

ethyl (2E)-5-(4-tert-butylphenyl)-7-methyl-2-(3-nitrobenzylidene)-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 ID13003674

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-7-Méthyl-5-[4-(2-méthyl-2-propanyl)phényl]-2-(3-nitrobenzylidène)-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-(1,1-dimethylethyl)phenyl]-2,3-dihydro-7-methyl-2-[(3-nitrophenyl)methylene]-3-oxo-, ethyl ester, (2E)- [ACD/Index Name]
ethyl (2E)-5-(4-tert-butylphenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Ethyl (2E)-7-methyl-5-[4-(2-methyl-2-propanyl)phenyl]-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2E)-7-methyl-5-[4-(2-methyl-2-propanyl)phenyl]-2-(3-nitrobenzyliden)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
324564-08-1 [RN]
ethyl (2E)-5-(4-tert-butylphenyl)-7-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-[4-(tert-butyl)phenyl]-7-methyl-2-[(3-nitrophenyl)methylene]-3-oxo-4,5 -dihydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate
ethyl 5-[4-(tert-butyl)phenyl]-7-methyl-2-[(3-nitrophenyl)methylene]-3-oxo-4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 633.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 93.6±3.0 kJ/mol
    Flash Point: 336.6±34.3 °C
    Index of Refraction: 1.637
    Molar Refractivity: 140.0±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 7.13
    ACD/LogD (pH 5.5): 5.79
    ACD/BCF (pH 5.5): 14888.03
    ACD/KOC (pH 5.5): 33767.93
    ACD/LogD (pH 7.4): 5.79
    ACD/BCF (pH 7.4): 14888.03
    ACD/KOC (pH 7.4): 33767.93
    Polar Surface Area: 130 Å2
    Polarizability: 55.5±0.5 10-24cm3
    Surface Tension: 49.4±7.0 dyne/cm
    Molar Volume: 390.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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