ChemSpider 2D Image | 2-({2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)-1-piperazinyl](~2~H_4_)ethyl}oxy)(~2~H_4_)ethanol | C21H17D8N3O2S

2-({2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)-1-piperazinyl](2H4)ethyl}oxy)(2H4)ethanol

  • Molecular FormulaC21H17D8N3O2S
  • Average mass391.556 Da
  • Monoisotopic mass391.216949 Da
  • ChemSpider ID48063441

  • Non-standard isotope - Non-standard isotope

More details:

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

2-({2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)-1-piperazinyl](2H4)ethyl}oxy)(2H4)ethanol [German] [ACD/IUPAC Name]
2-({2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)-1-piperazinyl](2H4)ethyl}oxy)(2H4)ethanol [ACD/IUPAC Name]
2-({2-[4-(Dibenzo[b,f][1,4]thiazépin-11-yl)-1-pipérazinyl](2H4)éthyl}oxy)(2H4)éthanol [French] [ACD/IUPAC Name]
Ethan-1,1,2,2-d4-ol, 2-[[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethyl-1,1,2,2-d4]oxy]- [ACD/Index Name]
1031703-36-2 [RN]
2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)-1,1,2,2-tetradeuterioethoxy]-1,1,2,2-tetradeuterioethanol

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 556.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 88.2±3.0 kJ/mol
    Flash Point: 290.4±32.9 °C
    Index of Refraction: 1.653
    Molar Refractivity: 110.2±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.57
    ACD/LogD (pH 5.5): 1.07
    ACD/BCF (pH 5.5): 1.88
    ACD/KOC (pH 5.5): 23.28
    ACD/LogD (pH 7.4): 2.29
    ACD/BCF (pH 7.4): 30.52
    ACD/KOC (pH 7.4): 379.03
    Polar Surface Area: 74 Å2
    Polarizability: 43.7±0.5 10-24cm3
    Surface Tension: 52.0±7.0 dyne/cm
    Molar Volume: 301.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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