ChemSpider 2D Image | Ethyl (2E)-5-(4-hydroxyphenyl)-2-(4-iodobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C23H19IN2O4S

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

  • Molecular FormulaC23H19IN2O4S
  • Average mass546.377 Da
  • Monoisotopic mass546.010986 Da
  • ChemSpider ID10012400

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-5-(4-Hydroxyphényl)-2-(4-iodobenzylidène)-7-méthyl-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, 2,3-dihydro-5-(4-hydroxyphenyl)-2-[(4-iodophenyl)methylene]-7-methyl-3-oxo-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-5-(4-hydroxyphenyl)-2-(4-iodobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2E)-5-(4-hydroxyphenyl)-2-(4-iodbenzyliden)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
(E)-ethyl 5-(4-hydroxyphenyl)-2-(4-iodobenzylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
330202-42-1 [RN]
5-(4-Hydroxy-phenyl)-2-(4-iodo-benzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
ethyl (2E)-5-(4-hydroxyphenyl)-2-[(4-iodophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(4-hydroxyphenyl)-2-[(4-iodophenyl)methylene]-7-methyl-3-oxo-4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate
RQPBBAKURGUGNY-LDADJPATSA-N

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

AK-968/11109098 [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 645.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.7±3.0 kJ/mol
    Flash Point: 344.1±34.3 °C
    Index of Refraction: 1.706
    Molar Refractivity: 129.4±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 5.84
    ACD/LogD (pH 5.5): 4.59
    ACD/BCF (pH 5.5): 1807.83
    ACD/KOC (pH 5.5): 7465.55
    ACD/LogD (pH 7.4): 4.59
    ACD/BCF (pH 7.4): 1797.44
    ACD/KOC (pH 7.4): 7422.65
    Polar Surface Area: 105 Å2
    Polarizability: 51.3±0.5 10-24cm3
    Surface Tension: 56.1±7.0 dyne/cm
    Molar Volume: 332.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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