ChemSpider 2D Image | 2-{3-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-quinoxalinyl}-N-benzyl-2-cyanoacetamide | C30H28N6O3

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

  • Molecular FormulaC30H28N6O3
  • Average mass520.582 Da
  • Monoisotopic mass520.222290 Da
  • ChemSpider ID2997420

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}-N-benzyl-2-cyanacetamid [German] [ACD/IUPAC Name]
2-{3-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-quinoxalinyl}-N-benzyl-2-cyanoacetamide [ACD/IUPAC Name]
2-{3-[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]-2-quinoxalinyl}-N-benzyl-2-cyanoacétamide [French] [ACD/IUPAC Name]
2-{3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}-N-benzyl-2-cyanoacetamide
2-Quinoxalineacetamide, 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-α-cyano-N-(phenylmethyl)- [ACD/Index Name]
2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-N-benzyl-2-cyanoacetamide
378214-38-1 [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: 767.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 111.7±3.0 kJ/mol
    Flash Point: 417.7±32.9 °C
    Index of Refraction: 1.674
    Molar Refractivity: 146.2±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 2.79
    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: 58.0±0.5 10-24cm3
    Surface Tension: 67.9±3.0 dyne/cm
    Molar Volume: 389.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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