ChemSpider 2D Image | 4-[(3-endo)-9-(Bicyclo[3.3.1]non-3-yl)-9-azabicyclo[3.3.1]non-3-yl]-3-oxo-3,4-dihydro-2-quinoxalinecarboxylic acid | C26H33N3O3

4-[(3-endo)-9-(Bicyclo[3.3.1]non-3-yl)-9-azabicyclo[3.3.1]non-3-yl]-3-oxo-3,4-dihydro-2-quinoxalinecarboxylic acid

  • Molecular FormulaC26H33N3O3
  • Average mass435.559 Da
  • Monoisotopic mass435.252197 Da
  • ChemSpider ID34950269

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

2-Quinoxalinecarboxylic acid, 4-[(3-endo)-9-bicyclo[3.3.1]non-3-yl-9-azabicyclo[3.3.1]non-3-yl]-3,4-dihydro-3-oxo- [ACD/Index Name]
4-[(3-endo)-9-(Bicyclo[3.3.1]non-3-yl)-9-azabicyclo[3.3.1]non-3-yl]-3-oxo-3,4-dihydro-2-chinoxalincarbonsäure [German] [ACD/IUPAC Name]
4-[(3-endo)-9-(Bicyclo[3.3.1]non-3-yl)-9-azabicyclo[3.3.1]non-3-yl]-3-oxo-3,4-dihydro-2-quinoxalinecarboxylic acid [ACD/IUPAC Name]
Acide 4-[(3-endo)-9-(bicyclo[3.3.1]non-3-yl)-9-azabicyclo[3.3.1]non-3-yl]-3-oxo-3,4-dihydro-2-quinoxalinecarboxylique [French] [ACD/IUPAC Name]
US8476271, 16

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

Density: 1.5±0.1 g/cm3
Boiling Point: 614.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 325.2±34.3 °C
Index of Refraction: 1.744
Molar Refractivity: 120.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 3.20
ACD/KOC (pH 5.5): 15.58
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 3.19
ACD/KOC (pH 7.4): 15.56
Polar Surface Area: 73 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 61.6±7.0 dyne/cm
Molar Volume: 297.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement