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Search term: 1076198-97-4 (Found by approved synonym)
ChemSpider 2D Image | 7-(Benzyloxy)-11-(1-piperazinyl)dibenzo[b,f][1,4]thiazepine | C24H23N3OS

7-(Benzyloxy)-11-(1-piperazinyl)dibenzo[b,f][1,4]thiazepine

  • Molecular FormulaC24H23N3OS
  • Average mass401.524 Da
  • Monoisotopic mass401.156189 Da
  • ChemSpider ID21896533

More details:

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

1076198-97-4 [RN]
7-(Benzyloxy)-11-(1-piperazinyl)dibenzo[b,f][1,4]thiazepin [German] [ACD/IUPAC Name]
7-(Benzyloxy)-11-(1-piperazinyl)dibenzo[b,f][1,4]thiazepine [ACD/IUPAC Name]
7-(Benzyloxy)-11-(1-pipérazinyl)dibenzo[b,f][1,4]thiazépine [French] [ACD/IUPAC Name]
Dibenzo[b,f][1,4]thiazepine, 7-(phenylmethoxy)-11-(1-piperazinyl)- [ACD/Index Name]
1185177-12-1 [RN]
2-phenylmethoxy-6-piperazin-1-ylbenzo[b][1,4]benzothiazepine
7-(Benzyloxy)-11-(piperazin-1-yl)dibenzo[b,f][1,4]thiazepine
7-(Phenylmethoxy)-11-(1-piperazinyl)dibenzo[b,f][1,4]thiazepine
7-Benzyloxy-N-des[[2-(2-hydroxy)ethoxy]ethyl] Quetiapine
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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: 592.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.3±3.0 kJ/mol
    Flash Point: 312.0±32.9 °C
    Index of Refraction: 1.678
    Molar Refractivity: 119.7±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.72
    ACD/LogD (pH 5.5): 1.47
    ACD/BCF (pH 5.5): 1.63
    ACD/KOC (pH 5.5): 7.90
    ACD/LogD (pH 7.4): 3.16
    ACD/BCF (pH 7.4): 81.14
    ACD/KOC (pH 7.4): 393.08
    Polar Surface Area: 62 Å2
    Polarizability: 47.4±0.5 10-24cm3
    Surface Tension: 51.3±7.0 dyne/cm
    Molar Volume: 317.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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