ChemSpider 2D Image | 3-[4-(4-Fluorophenyl)-1-piperazinyl]-4-[(2-phenylethyl)amino]-3-cyclobutene-1,2-dione | C22H22FN3O2

3-[4-(4-Fluorophenyl)-1-piperazinyl]-4-[(2-phenylethyl)amino]-3-cyclobutene-1,2-dione

  • Molecular FormulaC22H22FN3O2
  • Average mass379.427 Da
  • Monoisotopic mass379.169617 Da
  • ChemSpider ID27325022

More details:

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

3-[4-(4-Fluorophenyl)-1-piperazinyl]-4-[(2-phenylethyl)amino]-3-cyclobutene-1,2-dione [ACD/IUPAC Name]
3-[4-(4-Fluorophényl)-1-pipérazinyl]-4-[(2-phényléthyl)amino]-3-cyclobutène-1,2-dione [French] [ACD/IUPAC Name]
3-[4-(4-Fluorphenyl)-1-piperazinyl]-4-[(2-phenylethyl)amino]-3-cyclobuten-1,2-dion [German] [ACD/IUPAC Name]
3-Cyclobutene-1,2-dione, 3-[4-(4-fluorophenyl)-1-piperazinyl]-4-[(2-phenylethyl)amino]- [ACD/Index Name]
1282122-85-3 [RN]
3-[4-(4-fluorophenyl)piperazin-1-yl]-4-(2-phenylethylamino)cyclobut-3-ene-1,2-dione
3-[4-(4-fluorophenyl)piperazin-1-yl]-4-[(2-phenylethyl)amino]cyclobut-3-ene-1,2-dione

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 549.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.9±3.0 kJ/mol
    Flash Point: 286.1±32.9 °C
    Index of Refraction: 1.650
    Molar Refractivity: 104.9±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.53
    ACD/LogD (pH 5.5): 2.41
    ACD/BCF (pH 5.5): 31.92
    ACD/KOC (pH 5.5): 320.68
    ACD/LogD (pH 7.4): 2.79
    ACD/BCF (pH 7.4): 77.72
    ACD/KOC (pH 7.4): 780.83
    Polar Surface Area: 53 Å2
    Polarizability: 41.6±0.5 10-24cm3
    Surface Tension: 59.2±5.0 dyne/cm
    Molar Volume: 287.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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