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

3-(4-Benzyl-1-piperazinyl)-4-[(2-fluorobenzyl)amino]-3-cyclobutene-1,2-dione

  • Molecular FormulaC22H22FN3O2
  • Average mass379.427 Da
  • Monoisotopic mass379.169617 Da
  • ChemSpider ID27320642

More details:

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

3-(4-Benzyl-1-piperazinyl)-4-[(2-fluorbenzyl)amino]-3-cyclobuten-1,2-dion [German] [ACD/IUPAC Name]
3-(4-Benzyl-1-piperazinyl)-4-[(2-fluorobenzyl)amino]-3-cyclobutene-1,2-dione [ACD/IUPAC Name]
3-(4-Benzyl-1-pipérazinyl)-4-[(2-fluorobenzyl)amino]-3-cyclobutène-1,2-dione [French] [ACD/IUPAC Name]
3-Cyclobutene-1,2-dione, 3-[[(2-fluorophenyl)methyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]- [ACD/Index Name]
1282130-02-2 [RN]
3-(4-Benzyl-piperazin-1-yl)-4-(2-fluoro-benzylamino)-cyclobut-3-ene-1,2-dione
3-(4-benzylpiperazin-1-yl)-4-[(2-fluorobenzyl)amino]cyclobut-3-ene-1,2-dione
3-(4-benzylpiperazin-1-yl)-4-[(2-fluorophenyl)methylamino]cyclobut-3-ene-1,2-dione
AGN-PC-09RH5P
AKOS005751525
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 511.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.3±3.0 kJ/mol
    Flash Point: 263.3±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: 2.58
    ACD/LogD (pH 5.5): 2.17
    ACD/BCF (pH 5.5): 18.96
    ACD/KOC (pH 5.5): 195.57
    ACD/LogD (pH 7.4): 2.73
    ACD/BCF (pH 7.4): 69.74
    ACD/KOC (pH 7.4): 719.26
    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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