ChemSpider 2D Image | N-DESMETHYL ELETRIPTAN | C21H24N2O2S

N-DESMETHYL ELETRIPTAN

  • Molecular FormulaC21H24N2O2S
  • Average mass368.492 Da
  • Monoisotopic mass368.155853 Da
  • ChemSpider ID18858046

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

153525-55-4 [RN]
1H-Indole, 5-[2-(phenylsulfonyl)ethyl]-3-[(2R)-2-pyrrolidinylmethyl]- [ACD/Index Name]
5-[2-(Phenylsulfonyl)ethyl]-3-[(2R)-2-pyrrolidinylmethyl]-1H-indol [German] [ACD/IUPAC Name]
5-[2-(Phenylsulfonyl)ethyl]-3-[(2R)-2-pyrrolidinylmethyl]-1H-indole [ACD/IUPAC Name]
5-[2-(Phénylsulfonyl)éthyl]-3-[(2R)-2-pyrrolidinylméthyl]-1H-indole [French] [ACD/IUPAC Name]
N-DESMETHYL ELETRIPTAN
5-[2-(benzenesulfonyl)ethyl]-3-[(2R)-pyrrolidin-2-ylmethyl]-1H-indole
5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
5-[2-(BENZENESULFONYL)ETHYL]-3-{[(2R)-PYRROLIDIN-2-YL]METHYL}-1H-INDOLE
N-Desmethyleletriptan

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

6MOZ326Q5L [DBID]
UNII:6MOZ326Q5L [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 625.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 92.6±3.0 kJ/mol
    Flash Point: 332.1±31.5 °C
    Index of Refraction: 1.637
    Molar Refractivity: 105.8±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.69
    ACD/LogD (pH 5.5): 0.55
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.83
    ACD/LogD (pH 7.4): 0.69
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.55
    Polar Surface Area: 70 Å2
    Polarizability: 41.9±0.5 10-24cm3
    Surface Tension: 54.2±3.0 dyne/cm
    Molar Volume: 294.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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