ChemSpider 2D Image | 4-[(2R,6S)-3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]-N-(4-methyl-8-quinolinyl)benzamide | C26H21N3O3

4-[(2R,6S)-3,5-Dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-methyl-8-quinolinyl)benzamide

  • Molecular FormulaC26H21N3O3
  • Average mass423.463 Da
  • Monoisotopic mass423.158295 Da
  • ChemSpider ID24605054

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-[(2R,6S)-3,5-Dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-methyl-8-chinolinyl)benzamid [German] [ACD/IUPAC Name]
4-[(2R,6S)-3,5-Dioxo-4-azatricyclo[5.2.1.02,6]déc-8-én-4-yl]-N-(4-méthyl-8-quinoléinyl)benzamide [French] [ACD/IUPAC Name]
4-[(2R,6S)-3,5-Dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-methyl-8-quinolinyl)benzamide [ACD/IUPAC Name]
4-[(3ar,4s,7r,7as)-1,3-Dioxo-1,3,3a,4,7,7a-Hexahydro-2h-4,7-Methanoisoindol-2-Yl]-N-(4-Methylquinolin-8-Yl)benzamide
Benzamide, 4-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]-N-(4-methyl-8-quinolinyl)- [ACD/Index Name]
N-(4-Methylquinolin-8-yl)-4-(endo-4-aza-3,5-dioxotricyclo[5.2.1.02,6]oct-8-en-4-yl)benzamide
N-(4-Methylquinolin-8-yl)-4-(endo-4-aza-3,5-dioxotricyclo[5.2.1.02,6]oct-8-en-4-yl)benzamide, 2

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

Density: 1.4±0.1 g/cm3
Boiling Point: 654.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.8±31.5 °C
Index of Refraction: 1.728
Molar Refractivity: 120.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 260.43
ACD/KOC (pH 5.5): 1862.79
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 261.66
ACD/KOC (pH 7.4): 1871.61
Polar Surface Area: 79 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 69.5±3.0 dyne/cm
Molar Volume: 303.5±3.0 cm3

Click to predict properties on the Chemicalize site


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