ChemSpider 2D Image | Ethyl (2E)-5-[4-(allyloxy)-3-ethoxyphenyl]-7-methyl-3-oxo-2-(2-pyridinylmethylene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C27H27N3O5S

Ethyl (2E)-5-[4-(allyloxy)-3-ethoxyphenyl]-7-methyl-3-oxo-2-(2-pyridinylmethylene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC27H27N3O5S
  • Average mass505.585 Da
  • Monoisotopic mass505.167145 Da
  • ChemSpider ID10013406
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-5-[4-(Allyloxy)-3-éthoxyphényl]-7-méthyl-3-oxo-2-(2-pyridinylméthylène)-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-[3-ethoxy-4-(2-propen-1-yloxy)phenyl]-2,3-dihydro-7-methyl-3-oxo-2-(2-pyridinylmethylene)-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-5-[4-(allyloxy)-3-ethoxyphenyl]-7-methyl-3-oxo-2-(2-pyridinylmethylene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2E)-5-[4-(allyloxy)-3-ethoxyphenyl]-7-methyl-3-oxo-2-(2-pyridinylmethylen)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
(E)-ethyl 5-(4-(allyloxy)-3-ethoxyphenyl)-7-methyl-3-oxo-2-(pyridin-2-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
433924-65-3 [RN]
ethyl (2E)-5-(3-ethoxy-4-prop-2-enoxyphenyl)-7-methyl-3-oxo-2-(pyridin-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
XKMPZCWXQZSHEM-CJLVFECKSA-N

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

AM-879/15551121 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 636.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 94.1±3.0 kJ/mol
    Flash Point: 338.9±34.3 °C
    Index of Refraction: 1.620
    Molar Refractivity: 139.8±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 5.26
    ACD/LogD (pH 5.5): 3.98
    ACD/BCF (pH 5.5): 626.33
    ACD/KOC (pH 5.5): 3495.83
    ACD/LogD (pH 7.4): 3.98
    ACD/BCF (pH 7.4): 626.35
    ACD/KOC (pH 7.4): 3495.94
    Polar Surface Area: 116 Å2
    Polarizability: 55.4±0.5 10-24cm3
    Surface Tension: 46.6±7.0 dyne/cm
    Molar Volume: 397.9±7.0 cm3

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