ChemSpider 2D Image | Allyl (2Z)-2-(2-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-(2-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 ID4827866

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(2-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-[(2-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-(2-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-(2-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]
374599-89-0 [RN]
prop-2-en-1-yl (2Z)-2-(2-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-[(2-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: 629.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.2±3.0 kJ/mol
    Flash Point: 334.6±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: 5.88
    ACD/LogD (pH 5.5): 4.96
    ACD/BCF (pH 5.5): 3482.62
    ACD/KOC (pH 5.5): 11936.88
    ACD/LogD (pH 7.4): 4.96
    ACD/BCF (pH 7.4): 3482.62
    ACD/KOC (pH 7.4): 11936.88
    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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