ChemSpider 2D Image | N-[2-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-4-(4-fluorophenyl)-1-piperazinecarboxamide | C22H25FN4O2

N-[2-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-4-(4-fluorophenyl)-1-piperazinecarboxamide

  • Molecular FormulaC22H25FN4O2
  • Average mass396.458 Da
  • Monoisotopic mass396.196167 Da
  • ChemSpider ID28472346

More details:

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

1-Piperazinecarboxamide, N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-4-(4-fluorophenyl)- [ACD/Index Name]
N-[2-(3,4-Dihydro-2(1H)-isochinolinyl)-2-oxoethyl]-4-(4-fluorphenyl)-1-piperazincarboxamid [German] [ACD/IUPAC Name]
N-[2-(3,4-Dihydro-2(1H)-isoquinoléinyl)-2-oxoéthyl]-4-(4-fluorophényl)-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
N-[2-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-4-(4-fluorophenyl)-1-piperazinecarboxamide [ACD/IUPAC Name]
1324064-99-4 [RN]
4-(4-Fluoro-phenyl)-piperazine-1-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-amide
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-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: 683.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.3±3.0 kJ/mol
    Flash Point: 367.4±31.5 °C
    Index of Refraction: 1.608
    Molar Refractivity: 107.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.68
    ACD/LogD (pH 5.5): 2.44
    ACD/BCF (pH 5.5): 42.16
    ACD/KOC (pH 5.5): 504.86
    ACD/LogD (pH 7.4): 2.45
    ACD/BCF (pH 7.4): 42.68
    ACD/KOC (pH 7.4): 511.09
    Polar Surface Area: 56 Å2
    Polarizability: 42.6±0.5 10-24cm3
    Surface Tension: 54.1±3.0 dyne/cm
    Molar Volume: 310.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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