ChemSpider 2D Image | N-[2-(3-{[2-(Benzylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide | C27H24F3N3O2S

N-[2-(3-{[2-(Benzylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide

  • Molecular FormulaC27H24F3N3O2S
  • Average mass511.559 Da
  • Monoisotopic mass511.154144 Da
  • ChemSpider ID3304408

More details:

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

Benzamide, N-[2-[3-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1H-indol-1-yl]ethyl]-3-(trifluoromethyl)- [ACD/Index Name]
N-[2-(3-{[2-(Benzylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-[2-(3-{[2-(Benzylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-[2-(3-{[2-(Benzylamino)-2-oxoéthyl]sulfanyl}-1H-indol-1-yl)éthyl]-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
851714-87-9 [RN]
N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3-(trifluoromethyl)benzamide
N-[2-(3-{[(benzylcarbamoyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
N-[2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 733.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 107.1±3.0 kJ/mol
    Flash Point: 397.5±32.9 °C
    Index of Refraction: 1.606
    Molar Refractivity: 136.5±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 5.16
    ACD/LogD (pH 5.5): 4.81
    ACD/BCF (pH 5.5): 2678.76
    ACD/KOC (pH 5.5): 9892.61
    ACD/LogD (pH 7.4): 4.81
    ACD/BCF (pH 7.4): 2678.77
    ACD/KOC (pH 7.4): 9892.62
    Polar Surface Area: 88 Å2
    Polarizability: 54.1±0.5 10-24cm3
    Surface Tension: 45.3±7.0 dyne/cm
    Molar Volume: 396.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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