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Search term: PCBNATMSIHZKCV-DOTOQJQBSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(2S,3R)-2-(3-Pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]-2-thiophenecarboxamide | C18H21N3OS

N-[(2S,3R)-2-(3-Pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]-2-thiophenecarboxamide

  • Molecular FormulaC18H21N3OS
  • Average mass327.444 Da
  • Monoisotopic mass327.140533 Da
  • ChemSpider ID26366909

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Thiophenecarboxamide, N-[(2S,3R)-2-(3-pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]- [ACD/Index Name]
N-[(2S,3R)-2-(3-Pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-2-(3-Pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]-2-thiophenecarboxamide [ACD/IUPAC Name]
N-[(2S,3R)-2-(3-Pyridinylméthyl)-1-azabicyclo[2.2.2]oct-3-yl]-2-thiophènecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 555.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.6±25.9 °C
Index of Refraction: 1.644
Molar Refractivity: 92.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.94
Polar Surface Area: 73 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 255.7±5.0 cm3

Click to predict properties on the Chemicalize site


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