ChemSpider 2D Image | 3-{[(2S)-1-Methyl-2-pyrrolidinyl]methyl}-5-[2-(phenylsulfonyl)ethyl]-1H-indole | C22H26N2O2S

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

  • Molecular FormulaC22H26N2O2S
  • Average mass382.519 Da
  • Monoisotopic mass382.171509 Da
  • ChemSpider ID28536257

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indole, 3-[[(2S)-1-methyl-2-pyrrolidinyl]methyl]-5-[2-(phenylsulfonyl)ethyl]- [ACD/Index Name]
3-{[(2S)-1-Methyl-2-pyrrolidinyl]methyl}-5-[2-(phenylsulfonyl)ethyl]-1H-indol [German] [ACD/IUPAC Name]
3-{[(2S)-1-Methyl-2-pyrrolidinyl]methyl}-5-[2-(phenylsulfonyl)ethyl]-1H-indole [ACD/IUPAC Name]
3-{[(2S)-1-Méthyl-2-pyrrolidinyl]méthyl}-5-[2-(phénylsulfonyl)éthyl]-1H-indole [French] [ACD/IUPAC Name]
(S)-3-((1-Methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)ethyl)-1H-indole
[1252673-29-2] [RN]
103-63-9 [RN]
1217698-26-4 [RN]
1252673-29-2 [RN]
3-[[(2S)-1-Methyl-2-pyrrolidinyl]methyl]-5-[2-(phenylsulfonyl)ethyl]-1H-indole
More...

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

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 613.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 91.0±3.0 kJ/mol
    Flash Point: 324.8±31.5 °C
    Index of Refraction: 1.634
    Molar Refractivity: 110.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.08
    ACD/LogD (pH 5.5): 0.72
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.28
    ACD/LogD (pH 7.4): 1.06
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.98
    Polar Surface Area: 62 Å2
    Polarizability: 43.9±0.5 10-24cm3
    Surface Tension: 53.5±3.0 dyne/cm
    Molar Volume: 309.5±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement