Found 6 results

Search term: XXSFYXYFPKKBAM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Ethyl (2E,5R)-2-(4-chlorobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C23H19ClN2O3S

Ethyl (2E,5R)-2-(4-chlorobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC23H19ClN2O3S
  • Average mass438.927 Da
  • Monoisotopic mass438.080475 Da
  • ChemSpider ID22858006

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E,5R)-2-(4-Chlorobenzylidène)-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-[(4-chlorophenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-5-phenyl-, ethyl ester, (2E,5R)- [ACD/Index Name]
Ethyl (2E,5R)-2-(4-chlorobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2E,5R)-2-(4-chlorbenzyliden)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
(R,E)-ethyl 2-(4-chlorobenzylidene)-7-methyl-3-oxo-5-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
ETHYL (2E,5R)-2-[(4-CHLOROPHENYL)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: 1.3±0.1 g/cm3
    Boiling Point: 578.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 86.5±3.0 kJ/mol
    Flash Point: 303.4±32.9 °C
    Index of Refraction: 1.658
    Molar Refractivity: 120.5±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 6.07
    ACD/LogD (pH 5.5): 4.90
    ACD/BCF (pH 5.5): 3101.83
    ACD/KOC (pH 5.5): 10987.40
    ACD/LogD (pH 7.4): 4.90
    ACD/BCF (pH 7.4): 3101.83
    ACD/KOC (pH 7.4): 10987.40
    Polar Surface Area: 84 Å2
    Polarizability: 47.8±0.5 10-24cm3
    Surface Tension: 50.2±7.0 dyne/cm
    Molar Volume: 327.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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