ChemSpider 2D Image | Encenicline | C16H17ClN2OS


  • Molecular FormulaC16H17ClN2OS
  • Average mass320.837 Da
  • Monoisotopic mass320.075012 Da
  • ChemSpider ID28637768
  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

550999-75-2 [RN]
Benzo[b]thiophene-2-carboxamide, N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-7-chloro- [ACD/Index Name]
enceniclina [Spanish] [INN]
Encenicline [INN] [USAN]
encénicline [French] [INN]
enceniclinum [Latin] [INN]
N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-7-chlor-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      EVP-6124 is a novel partial agonist of ?7 neuronal nicotinic acetylcholine receptors (nAChRs); shows selectivity for ?7 nAChRs and did not activate or inhibit heteromeric ?4?2 nAChRs.; IC50 value:; Target: ?7 nAChR; EVP-6124, its alpha-7 nicotinic acetylcholine receptor agonist, possesses a novel mechanism not previously seen in the scientific community: it acts as a co-agonist with Acetylcholine (ACh) to enhance cognition. MedChem Express HY-15430
      Membrane Tranporter/Ion Channel MedChem Express HY-15430
      Membrane Tranporter/Ion Channel; Neuronal Signaling; MedChem Express HY-15430
      nAChR MedChem Express HY-15430

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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

Click to predict properties on the Chemicalize site