ChemSpider 2D Image | {2,4-Dioxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-3(2H)-yl}acetic acid | C17H16N4O5S2

{2,4-Dioxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-3(2H)-yl}acetic acid

  • Molecular FormulaC17H16N4O5S2
  • Average mass420.463 Da
  • Monoisotopic mass420.056213 Da
  • ChemSpider ID21529743

More details:

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

[1]Benzothieno[2,3-d]pyrimidine-3(2H)-acetic acid, 1,4,5,6,7,8-hexahydro-2,4-dioxo-1-[2-oxo-2-(2-thiazolylamino)ethyl]- [ACD/Index Name]
{2,4-Dioxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-3(2H)-yl}acetic acid [ACD/IUPAC Name]
{2,4-Dioxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-3(2H)-yl}essigsäure [German] [ACD/IUPAC Name]
Acide {2,4-dioxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)éthyl]-1,4,5,6,7,8-hexahydro[1]benzothiéno[2,3-d]pyrimidin-3(2H)-yl}acétique [French] [ACD/IUPAC Name]
[2,4-Dioxo-1-(thiazol-2-ylcarbamoylmethyl)-1,4,5,6,7,8-hexahydro-2H-benzo[4,5]thieno[2,3-d]pyrimidin-3-yl]-acetic acid
2-[2,4-dioxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetic acid
903855-69-6 [RN]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.712
    Molar Refractivity: 102.3±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.09
    ACD/LogD (pH 5.5): 0.55
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.91
    ACD/LogD (pH 7.4): -1.24
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 176 Å2
    Polarizability: 40.5±0.5 10-24cm3
    Surface Tension: 87.1±3.0 dyne/cm
    Molar Volume: 261.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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