ChemSpider 2D Image | Ethyl 4-[{[3-(methoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}(oxo)acetyl]-1-piperazinecarboxylate | C20H27N3O7S

Ethyl 4-[{[3-(methoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}(oxo)acetyl]-1-piperazinecarboxylate

  • Molecular FormulaC20H27N3O7S
  • Average mass453.509 Da
  • Monoisotopic mass453.156982 Da
  • ChemSpider ID21528263

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[[4,7-dihydro-3-(methoxycarbonyl)-5,5-dimethyl-5H-thieno[2,3-c]pyran-2-yl]amino]-1,2-dioxoethyl]-, ethyl ester [ACD/Index Name]
4-(2-{[3-(Méthoxycarbonyl)-5,5-diméthyl-4,7-dihydro-5H-thiéno[2,3-c]pyran-2-yl]amino}-2-oxoacétyl)-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[{[3-(methoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}(oxo)acetyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[{[3-(methoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}(oxo)acetyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
903203-98-5 [RN]
ethyl 4-(2-((3-(methoxycarbonyl)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)amino)-2-oxoacetyl)piperazine-1-carboxylate
ethyl 4-[{[3-(methoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}(oxo)acetyl]piperazine-1-carboxylate
ethyl 4-[2-[(3-methoxycarbonyl-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-2-oxoacetyl]piperazine-1-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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.581
    Molar Refractivity: 112.8±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 2.40
    ACD/LogD (pH 5.5): 1.78
    ACD/BCF (pH 5.5): 13.23
    ACD/KOC (pH 5.5): 221.01
    ACD/LogD (pH 7.4): 1.78
    ACD/BCF (pH 7.4): 13.23
    ACD/KOC (pH 7.4): 220.99
    Polar Surface Area: 143 Å2
    Polarizability: 44.7±0.5 10-24cm3
    Surface Tension: 55.5±3.0 dyne/cm
    Molar Volume: 338.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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