ChemSpider 2D Image | Allyl (2Z)-2-(3-chlorobenzylidene)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C26H23ClN2O5S

Allyl (2Z)-2-(3-chlorobenzylidene)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC26H23ClN2O5S
  • Average mass510.989 Da
  • Monoisotopic mass510.101624 Da
  • ChemSpider ID4797624

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(3-Chlorobenzylidène)-5-(3,4-diméthoxyphényl)-7-méthyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate d'allyle [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[(3-chlorophenyl)methylene]-5-(3,4-dimethoxyphenyl)-2,3-dihydro-7-methyl-3-oxo-, 2-propen-1-yl ester, (2Z)- [ACD/Index Name]
Allyl (2Z)-2-(3-chlorobenzylidene)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Allyl-(2Z)-2-(3-chlorbenzyliden)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
374611-06-0 [RN]
prop-2-en-1-yl (2Z)-2-(3-chlorobenzylidene)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
prop-2-enyl (2Z)-2-[(3-chlorophenyl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-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: 1.3±0.1 g/cm3
    Boiling Point: 632.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 93.5±3.0 kJ/mol
    Flash Point: 336.1±34.3 °C
    Index of Refraction: 1.626
    Molar Refractivity: 136.7±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 6.11
    ACD/LogD (pH 5.5): 5.03
    ACD/BCF (pH 5.5): 3908.42
    ACD/KOC (pH 5.5): 12964.26
    ACD/LogD (pH 7.4): 5.03
    ACD/BCF (pH 7.4): 3908.42
    ACD/KOC (pH 7.4): 12964.26
    Polar Surface Area: 103 Å2
    Polarizability: 54.2±0.5 10-24cm3
    Surface Tension: 46.7±7.0 dyne/cm
    Molar Volume: 386.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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