ChemSpider 2D Image | 2-{3-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-quinoxalinyl}-2-cyano-N-hexylacetamide | C29H34N6O3

2-{3-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-quinoxalinyl}-2-cyano-N-hexylacetamide

  • Molecular FormulaC29H34N6O3
  • Average mass514.619 Da
  • Monoisotopic mass514.269226 Da
  • ChemSpider ID3786225

More details:

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

2-{3-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-chinoxalinyl}-2-cyan-N-hexylacetamid [German] [ACD/IUPAC Name]
2-{3-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-quinoxalinyl}-2-cyano-N-hexylacetamide [ACD/IUPAC Name]
2-{3-[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]-2-quinoxalinyl}-2-cyano-N-hexylacétamide [French] [ACD/IUPAC Name]
2-{3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}-2-cyano-N-hexylacetamide
2-Quinoxalineacetamide, 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-α-cyano-N-hexyl- [ACD/Index Name]
2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-N-hexylacetamide
380552-94-3 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 723.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.6±3.0 kJ/mol
    Flash Point: 391.1±32.9 °C
    Index of Refraction: 1.622
    Molar Refractivity: 144.9±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 3.63
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5):
    ACD/KOC (pH 5.5):
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4):
    ACD/KOC (pH 7.4):
    Polar Surface Area: 104 Å2
    Polarizability: 57.4±0.5 10-24cm3
    Surface Tension: 59.9±3.0 dyne/cm
    Molar Volume: 411.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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