ChemSpider 2D Image | Methyl 5,5-dimethyl-2-{[{[3-(4-morpholinyl)propyl]amino}(oxo)acetyl]amino}-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate | C20H29N3O6S

Methyl 5,5-dimethyl-2-{[{[3-(4-morpholinyl)propyl]amino}(oxo)acetyl]amino}-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate

  • Molecular FormulaC20H29N3O6S
  • Average mass439.526 Da
  • Monoisotopic mass439.177704 Da
  • ChemSpider ID21528381

More details:

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

5,5-Diméthyl-2-[(2-{[3-(4-morpholinyl)propyl]amino}-2-oxoacétyl)amino]-4,7-dihydro-5H-thiéno[2,3-c]pyrane-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
5H-Thieno[2,3-c]pyran-3-carboxylic acid, 4,7-dihydro-5,5-dimethyl-2-[[2-[[3-(4-morpholinyl)propyl]amino]-1,2-dioxoethyl]amino]-, methyl ester [ACD/Index Name]
Methyl 5,5-dimethyl-2-{[{[3-(4-morpholinyl)propyl]amino}(oxo)acetyl]amino}-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate [ACD/IUPAC Name]
Methyl-5,5-dimethyl-2-{[{[3-(4-morpholinyl)propyl]amino}(oxo)acetyl]amino}-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylat [German] [ACD/IUPAC Name]
903183-50-6 [RN]
AGN-PC-01KEA2
AKOS005550801
CHEMBL1731853
HMS2930B10
MCULE-9820115402
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.566
    Molar Refractivity: 112.9±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.72
    ACD/LogD (pH 5.5): 0.87
    ACD/BCF (pH 5.5): 1.15
    ACD/KOC (pH 5.5): 14.05
    ACD/LogD (pH 7.4): 2.26
    ACD/BCF (pH 7.4): 27.97
    ACD/KOC (pH 7.4): 340.46
    Polar Surface Area: 134 Å2
    Polarizability: 44.8±0.5 10-24cm3
    Surface Tension: 50.1±3.0 dyne/cm
    Molar Volume: 346.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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