ChemSpider 2D Image | 2-(1,3-Dimethyl-2,4,6-trioxo-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide | C20H20N6O6

2-(1,3-Dimethyl-2,4,6-trioxo-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide

  • Molecular FormulaC20H20N6O6
  • Average mass440.409 Da
  • Monoisotopic mass440.144440 Da
  • ChemSpider ID21531397

More details:

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

1H-Pyrrolo[2,3-d]pyrimidine-5-acetamide, 2,3,4,5,6,7-hexahydro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethyl-2,4,6-trioxo- [ACD/Index Name]
2-(1,3-Dimethyl-2,4,6-trioxo-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamid [German] [ACD/IUPAC Name]
2-(1,3-Dimethyl-2,4,6-trioxo-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide [ACD/IUPAC Name]
2-(1,3-Diméthyl-2,4,6-trioxo-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-{[3-(4-méthoxyphényl)-1,2,4-oxadiazol-5-yl]méthyl}acétamide [French] [ACD/IUPAC Name]
2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
921162-33-6 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.664
    Molar Refractivity: 107.7±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 1.61
    ACD/LogD (pH 5.5): 0.29
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 34.24
    ACD/LogD (pH 7.4): 0.29
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 34.24
    Polar Surface Area: 147 Å2
    Polarizability: 42.7±0.5 10-24cm3
    Surface Tension: 80.5±5.0 dyne/cm
    Molar Volume: 290.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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