ChemSpider 2D Image | Bradanicline | C22H23N3O2

Bradanicline

  • Molecular FormulaC22H23N3O2
  • Average mass361.437 Da
  • Monoisotopic mass361.179016 Da
  • ChemSpider ID26366935
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2-Benzofurancarboxamide, N-[(2S,3R)-2-(3-pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]- [ACD/Index Name]
639489-84-2 [RN]
9893
bradaniclina [Spanish] [INN]
bradanicline [Spanish] [INN]
Bradanicline [INN] [USAN]
bradaniclinum [Latin] [INN]
N-[(2S,3R)-2-(3-Pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]-1-benzofuran-2-carboxamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-2-(3-Pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]-1-benzofuran-2-carboxamide [ACD/IUPAC Name]
N-[(2S,3R)-2-(3-Pyridinylméthyl)-1-azabicyclo[2.2.2]oct-3-yl]-1-benzofurane-2-carboxamide [French] [ACD/IUPAC Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 592.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 312.0±25.9 °C
Index of Refraction: 1.666
Molar Refractivity: 104.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.54
Polar Surface Area: 58 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 280.9±5.0 cm3

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