ChemSpider 2D Image | Encenicline | C16H17ClN2OS

Encenicline

  • Molecular FormulaC16H17ClN2OS
  • Average mass320.837 Da
  • Monoisotopic mass320.075012 Da
  • ChemSpider ID30922873

More details:

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

Benzo[b]thiophene-2-carboxamide, N-1-azabicyclo[2.2.2]oct-3-yl-7-chloro- [ACD/Index Name]
Encenicline [INN] [USAN]
N-(1-Azabicyclo[2.2.2]oct-3-yl)-7-chlor-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
N-(1-Azabicyclo[2.2.2]oct-3-yl)-7-chloro-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
N-(1-Azabicyclo[2.2.2]oct-3-yl)-7-chloro-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]
5FI5376A0X
D10626
Encenicline (USAN/INN)
EVP 6124;EVP6124
EVP-6124
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 545.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.4±3.0 kJ/mol
    Flash Point: 283.5±27.3 °C
    Index of Refraction: 1.686
    Molar Refractivity: 87.8±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.41
    ACD/LogD (pH 5.5): 0.46
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.66
    ACD/LogD (pH 7.4): 1.10
    ACD/BCF (pH 7.4): 1.04
    ACD/KOC (pH 7.4): 7.28
    Polar Surface Area: 61 Å2
    Polarizability: 34.8±0.5 10-24cm3
    Surface Tension: 61.9±5.0 dyne/cm
    Molar Volume: 230.9±5.0 cm3

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