ChemSpider 2D Image | Quetiapine N-Oxide | C21H25N3O3S

Quetiapine N-Oxide

  • Molecular FormulaC21H25N3O3S
  • Average mass399.507 Da
  • Monoisotopic mass399.161652 Da
  • ChemSpider ID22547264

More details:

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

1076199-40-0 [RN]
2-{2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)-1-oxido-1-piperazinyl]ethoxy}ethanol [ACD/IUPAC Name]
2-{2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)-1-oxido-1-piperazinyl]ethoxy}ethanol [German] [ACD/IUPAC Name]
2-{2-[4-(Dibenzo[b,f][1,4]thiazépin-11-yl)-1-oxydo-1-pipérazinyl]éthoxy}éthanol [French] [ACD/IUPAC Name]
Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-oxido-1-piperazinyl)ethoxy]- [ACD/Index Name]
Quetiapine N-Oxide
[1076199-40-0] [RN]
2-[2-(4-benzo[b][1,4]benzothiazepin-6-yl-1-oxidopiperazin-1-ium-1-yl)ethoxy]ethanol
2-[2-(4-benzo[b][1,4]benzothiazepin-6-yl-1-oxido-piperazin-1-ium-1-yl)ethoxy]ethanol
2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol N-oxide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density:
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.24
    ACD/LogD (pH 5.5): 0.63
    ACD/BCF (pH 5.5): 1.68
    ACD/KOC (pH 5.5): 47.97
    ACD/LogD (pH 7.4): 0.71
    ACD/BCF (pH 7.4): 2.02
    ACD/KOC (pH 7.4): 57.59
    Polar Surface Area: 87 Å2
    Polarizability:
    Surface Tension:
    Molar Volume:

    Click to predict properties on the Chemicalize site


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