ChemSpider 2D Image | Ethyl 8,8-dimethyl-5-(4-morpholinyl)-1-[(3-oxo-3-phenylpropanethioyl)amino]-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate | C28H31N3O5S2

Ethyl 8,8-dimethyl-5-(4-morpholinyl)-1-[(3-oxo-3-phenylpropanethioyl)amino]-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate

  • Molecular FormulaC28H31N3O5S2
  • Average mass553.693 Da
  • Monoisotopic mass553.170532 Da
  • ChemSpider ID4056471

More details:

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

6H-Pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylic acid, 8,9-dihydro-8,8-dimethyl-5-(4-morpholinyl)-1-[(3-oxo-3-phenyl-1-thioxopropyl)amino]-, ethyl ester [ACD/Index Name]
8,8-Diméthyl-5-(4-morpholinyl)-1-[(3-oxo-3-phénylpropanethioyl)amino]-8,9-dihydro-6H-pyrano[4,3-d]thiéno[2,3-b]pyridine-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 8,8-dimethyl-5-(4-morpholinyl)-1-[(3-oxo-3-phenylpropanethioyl)amino]-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate [ACD/IUPAC Name]
Ethyl-8,8-dimethyl-5-(4-morpholinyl)-1-[(3-oxo-3-phenylpropanethioyl)amino]-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-2-carboxylat [German] [ACD/IUPAC Name]
ethyl 8,8-dimethyl-5-(morpholin-4-yl)-1-[(3-oxo-3-phenylpropanethioyl)amino]-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate
ethyl 8,8-dimethyl-5-morpholino-1-(3-oxo-3-phenylpropanethioamido)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-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: 748.9±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 109.2±3.0 kJ/mol
    Flash Point: 406.7±35.7 °C
    Index of Refraction: 1.655
    Molar Refractivity: 153.0±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 5.93
    ACD/LogD (pH 5.5): 5.10
    ACD/BCF (pH 5.5): 3842.60
    ACD/KOC (pH 5.5): 10877.15
    ACD/LogD (pH 7.4): 5.31
    ACD/BCF (pH 7.4): 6260.35
    ACD/KOC (pH 7.4): 17721.03
    Polar Surface Area: 150 Å2
    Polarizability: 60.7±0.5 10-24cm3
    Surface Tension: 61.2±3.0 dyne/cm
    Molar Volume: 417.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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