ChemSpider 2D Image | Ethyl 5-fluoro-3-{(E)-[(5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]diazenyl}-1H-indole-2-carboxylate | C21H27FN4O2

Ethyl 5-fluoro-3-{(E)-[(5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]diazenyl}-1H-indole-2-carboxylate

  • Molecular FormulaC21H27FN4O2
  • Average mass386.463 Da
  • Monoisotopic mass386.211792 Da
  • ChemSpider ID22846021

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Indole-2-carboxylic acid, 5-fluoro-3-[(E)-2-[(5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]diazenyl]-, ethyl ester [ACD/Index Name]
5-Fluoro-3-{(E)-[(5S)-1,3,3-triméthyl-6-azabicyclo[3.2.1]oct-6-yl]diazényl}-1H-indole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-fluoro-3-{(E)-[(5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]diazenyl}-1H-indole-2-carboxylate [ACD/IUPAC Name]
Ethyl-5-fluor-3-{(E)-[(5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]diazenyl}-1H-indol-2-carboxylat [German] [ACD/IUPAC Name]
(E)-ethyl 5-fluoro-3-((1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)diazenyl)-1H-indole-2-carboxylate
5-Fluoro-3-(1,3,3-trimethyl-6-aza-bicyclo[3.2.1]oct-6-ylazo)-1H-indole-2-carboxylic acid ethyl ester
ethyl 5-fluoro-3-[(E)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)diazenyl]-1H-indole-2-carboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 519.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.3±3.0 kJ/mol
    Flash Point: 268.2±32.9 °C
    Index of Refraction: 1.627
    Molar Refractivity: 104.7±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 6.57
    ACD/LogD (pH 5.5): 6.01
    ACD/BCF (pH 5.5): 21911.74
    ACD/KOC (pH 5.5): 44526.71
    ACD/LogD (pH 7.4): 6.01
    ACD/BCF (pH 7.4): 21915.59
    ACD/KOC (pH 7.4): 44534.53
    Polar Surface Area: 70 Å2
    Polarizability: 41.5±0.5 10-24cm3
    Surface Tension: 44.8±7.0 dyne/cm
    Molar Volume: 295.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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