ChemSpider 2D Image | Praziquantel Related Compound C | C19H22N2O4

Praziquantel Related Compound C

  • Molecular FormulaC19H22N2O4
  • Average mass342.389 Da
  • Monoisotopic mass342.157959 Da
  • ChemSpider ID22234797

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

125273-88-3 [RN]
2-(N-Formylhexahydrohippuroyl)-1,2,3,4-tetrahydroisoquinolin-1-one
Cyclohexanecarboxamide, N-[2-(3,4-dihydro-1-oxo-2(1H)-isoquinolinyl)-2-oxoethyl]-N-formyl- [ACD/Index Name]
N-[2-(3,4-Dihydro-1-oxo-2(1H)-isoquinolinyl)-2-oxoethyl]-N-formylcyclohexanecarboxamide
N-FORMYL-N-(2-OXO-2-(1-OXO-3,4-DIHYDROISOQUINOLIN-2(1H)-YL)ETHYL)CYCLOHEXANECARBOXAMIDE
N-Formyl-N-[2-oxo-2-(1-oxo-3,4-dihydro-2(1H)-isochinolinyl)ethyl]cyclohexancarboxamid [German] [ACD/IUPAC Name]
N-Formyl-N-[2-oxo-2-(1-oxo-3,4-dihydro-2(1H)-isoquinoléinyl)éthyl]cyclohexanecarboxamide [French] [ACD/IUPAC Name]
N-Formyl-N-[2-oxo-2-(1-oxo-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]cyclohexanecarboxamide [ACD/IUPAC Name]
N-Formyl-N-[2-oxo-2-(1-oxo-3,4-dihydroisoquinolin-2(1H)-yl)ethyl]cyclohexanecarboxamide
Praziquantel Related Compound C
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

HRW0WH0AQH [DBID]
UNII:HRW0WH0AQH [DBID]
UNII-HRW0WH0AQH [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 550.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.1±3.0 kJ/mol
    Flash Point: 253.3±25.2 °C
    Index of Refraction: 1.585
    Molar Refractivity: 90.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.48
    ACD/LogD (pH 5.5): 2.22
    ACD/BCF (pH 5.5): 28.83
    ACD/KOC (pH 5.5): 386.02
    ACD/LogD (pH 7.4): 2.22
    ACD/BCF (pH 7.4): 28.83
    ACD/KOC (pH 7.4): 386.02
    Polar Surface Area: 75 Å2
    Polarizability: 35.7±0.5 10-24cm3
    Surface Tension: 57.1±3.0 dyne/cm
    Molar Volume: 268.8±3.0 cm3

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