ChemSpider 2D Image | Ethyl (2E)-5-(2-isopropoxyphenyl)-7-methyl-3-oxo-2-{[5-(1-piperidinyl)-2-furyl]methylene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C29H33N3O5S

Ethyl (2E)-5-(2-isopropoxyphenyl)-7-methyl-3-oxo-2-{[5-(1-piperidinyl)-2-furyl]methylene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC29H33N3O5S
  • Average mass535.654 Da
  • Monoisotopic mass535.214111 Da
  • ChemSpider ID10011504

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-5-(2-Isopropoxyphényl)-7-méthyl-3-oxo-2-{[5-(1-pipéridinyl)-2-furyl]méthylène}-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-7-methyl-5-[2-(1-methylethoxy)phenyl]-3-oxo-2-[[5-(1-piperidinyl)-2-furanyl]methylene]-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-5-(2-isopropoxyphenyl)-7-methyl-3-oxo-2-{[5-(1-piperidinyl)-2-furyl]methylene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2E)-5-(2-isopropoxyphenyl)-7-methyl-3-oxo-2-{[5-(1-piperidinyl)-2-furyl]methylen}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
(E)-ethyl 5-(2-isopropoxyphenyl)-7-methyl-3-oxo-2-((5-(piperidin-1-yl)furan-2-yl)methylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
494832-29-0 [RN]
5-(2-Isopropoxy-phenyl)-7-methyl-3-oxo-2-(5-piperidin-1-yl-furan-2-ylmethylene)-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
ethyl (2E)-7-methyl-3-oxo-2-[(5-piperidin-1-ylfuran-2-yl)methylidene]-5-(2-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl (2E)-7-methyl-3-oxo-2-{[5-(piperidin-1-yl)furan-2-yl]methylidene}-5-[2-(propan-2-yloxy)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 7-methyl-5-[2-(methylethoxy)phenyl]-3-oxo-2-[(5-piperidyl(2-furyl))methylene]-4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AH-487/15020162 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 662.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 97.4±3.0 kJ/mol
    Flash Point: 354.3±34.3 °C
    Index of Refraction: 1.643
    Molar Refractivity: 147.4±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 6.72
    ACD/LogD (pH 5.5): 4.94
    ACD/BCF (pH 5.5): 3354.59
    ACD/KOC (pH 5.5): 11612.91
    ACD/LogD (pH 7.4): 4.94
    ACD/BCF (pH 7.4): 3362.83
    ACD/KOC (pH 7.4): 11641.43
    Polar Surface Area: 110 Å2
    Polarizability: 58.4±0.5 10-24cm3
    Surface Tension: 48.7±7.0 dyne/cm
    Molar Volume: 407.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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