ChemSpider 2D Image | 3-{[(2R)-1-Methyl-1-oxido-2-pyrrolidinyl]methyl}-5-[2-(phenylsulfonyl)ethyl]-1H-indole | C22H26N2O3S

3-{[(2R)-1-Methyl-1-oxido-2-pyrrolidinyl]methyl}-5-[2-(phenylsulfonyl)ethyl]-1H-indole

  • Molecular FormulaC22H26N2O3S
  • Average mass398.518 Da
  • Monoisotopic mass398.166412 Da
  • ChemSpider ID35031812

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1H-Indole, 3-[[(2R)-1-methyl-1-oxido-2-pyrrolidinyl]methyl]-5-[2-(phenylsulfonyl)ethyl]- [ACD/Index Name]
3-{[(2R)-1-Methyl-1-oxido-2-pyrrolidinyl]methyl}-5-[2-(phenylsulfonyl)ethyl]-1H-indol [German] [ACD/IUPAC Name]
3-{[(2R)-1-Methyl-1-oxido-2-pyrrolidinyl]methyl}-5-[2-(phenylsulfonyl)ethyl]-1H-indole [ACD/IUPAC Name]
3-{[(2R)-1-Méthyl-1-oxydo-2-pyrrolidinyl]méthyl}-5-[2-(phénylsulfonyl)éthyl]-1H-indole [French] [ACD/IUPAC Name]
(2R)-2-({5-[2-(benzenesulfonyl)ethyl]-1H-indol-3-yl}methyl)-1-methylpyrrolidin-1-ium-1-olate
1217641-89-8 [RN]
5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methyl-1-oxidopyrrolidin-1-ium-2-yl]methyl]-1H-indole
Eletriptan N-oxide

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

    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: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.49
    ACD/LogD (pH 5.5): 1.09
    ACD/BCF (pH 5.5): 3.68
    ACD/KOC (pH 5.5): 80.52
    ACD/LogD (pH 7.4): 1.23
    ACD/BCF (pH 7.4): 5.09
    ACD/KOC (pH 7.4): 111.33
    Polar Surface Area: 75 Å2
    Polarizability:
    Surface Tension:
    Molar Volume:

    Click to predict properties on the Chemicalize site


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