ChemSpider 2D Image | N-[2-(3,4-Dimethoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide | C17H21N3O4

N-[2-(3,4-Dimethoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

  • Molecular FormulaC17H21N3O4
  • Average mass331.366 Da
  • Monoisotopic mass331.153198 Da
  • ChemSpider ID28435895

More details:

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

5H-Pyrazolo[5,1-b][1,3]oxazine-2-carboxamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dihydro- [ACD/Index Name]
N-[2-(3,4-Dimethoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-carboxamid [German] [ACD/IUPAC Name]
N-[2-(3,4-Dimethoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide [ACD/IUPAC Name]
N-[2-(3,4-Diméthoxyphényl)éthyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide [French] [ACD/IUPAC Name]
1428373-93-6 [RN]
N-(3,4-dimethoxyphenethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-2-carboxamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 557.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.9±3.0 kJ/mol
    Flash Point: 290.7±30.1 °C
    Index of Refraction: 1.603
    Molar Refractivity: 88.0±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.52
    ACD/LogD (pH 5.5): 1.34
    ACD/BCF (pH 5.5): 6.09
    ACD/KOC (pH 5.5): 126.82
    ACD/LogD (pH 7.4): 1.34
    ACD/BCF (pH 7.4): 6.09
    ACD/KOC (pH 7.4): 126.82
    Polar Surface Area: 75 Å2
    Polarizability: 34.9±0.5 10-24cm3
    Surface Tension: 46.4±7.0 dyne/cm
    Molar Volume: 255.9±7.0 cm3

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