ChemSpider 2D Image | 6-(5-Chloro-2-pyridinyl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 1-(2,2,3,3,5,5,6,6-~2~H_8_)piperazinecarboxylate | C16H7D8ClN6O3

6-(5-Chloro-2-pyridinyl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 1-(2,2,3,3,5,5,6,6-2H8)piperazinecarboxylate

  • Molecular FormulaC16H7D8ClN6O3
  • Average mass382.831 Da
  • Monoisotopic mass382.139618 Da
  • ChemSpider ID48058524

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(2,2,3,3,5,5,6,6-2H8)Pipérazinecarboxylate de 6-(5-chloro-2-pyridinyl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yle [French] [ACD/IUPAC Name]
1-Piperazine-2,2,3,3,5,5,6,6-d8-carboxylic acid, 6-(5-chloro-2-pyridinyl)-6,7-dihydro-7-oxo-5H-pyrrolo[3,4-b]pyrazin-5-yl ester [ACD/Index Name]
6-(5-Chlor-2-pyridinyl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl-1-(2,2,3,3,5,5,6,6-2H8)piperazincarboxylat [German] [ACD/IUPAC Name]
6-(5-Chloro-2-pyridinyl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 1-(2,2,3,3,5,5,6,6-2H8)piperazinecarboxylate [ACD/IUPAC Name]
[6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate
1189805-43-3 [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: 599.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 89.2±3.0 kJ/mol
    Flash Point: 316.1±30.1 °C
    Index of Refraction: 1.696
    Molar Refractivity: 91.4±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.72
    ACD/LogD (pH 5.5): -2.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.49
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.92
    Polar Surface Area: 101 Å2
    Polarizability: 36.2±0.5 10-24cm3
    Surface Tension: 89.8±5.0 dyne/cm
    Molar Volume: 237.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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