ChemSpider 2D Image | 1-Methoxy-2-propanyl {3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-quinoxalinyl}(cyano)acetate | C27H29N5O5

1-Methoxy-2-propanyl {3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-quinoxalinyl}(cyano)acetate

  • Molecular FormulaC27H29N5O5
  • Average mass503.550 Da
  • Monoisotopic mass503.216858 Da
  • ChemSpider ID4369211

More details:

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

{3-[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]-2-quinoxalinyl}(cyano)acétate de 1-méthoxy-2-propanyle [French] [ACD/IUPAC Name]
1-Methoxy-2-propanyl {3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-quinoxalinyl}(cyano)acetate [ACD/IUPAC Name]
1-Methoxy-2-propanyl-{3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-chinoxalinyl}(cyan)acetat [German] [ACD/IUPAC Name]
2-Quinoxalineacetic acid, 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-α-cyano-, 2-methoxy-1-methylethyl ester [ACD/Index Name]
[(2S)-1-methoxypropan-2-yl] (2R)-2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate
[3-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-quinoxalin-2-yl]-cyano-acetic acid 2-methoxy-1-methyl-ethyl ester
1-methoxypropan-2-yl {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate
1-methoxypropan-2-yl 2-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate
1-methoxypropan-2-yl 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate
489423-24-7 [RN]
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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: 676.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 99.3±3.0 kJ/mol
    Flash Point: 362.9±31.5 °C
    Index of Refraction: 1.626
    Molar Refractivity: 135.5±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 2.37
    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: 110 Å2
    Polarizability: 53.7±0.5 10-24cm3
    Surface Tension: 62.3±3.0 dyne/cm
    Molar Volume: 382.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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