ChemSpider 2D Image | 3,5-Dichloro-N-{3-[3-(1H-imidazol-2-yl)-2-(5,6,7,8-tetrahydro-8-quinolinyl)propyl]benzyl}isonicotinamide | C28H27Cl2N5O

3,5-Dichloro-N-{3-[3-(1H-imidazol-2-yl)-2-(5,6,7,8-tetrahydro-8-quinolinyl)propyl]benzyl}isonicotinamide

  • Molecular FormulaC28H27Cl2N5O
  • Average mass520.453 Da
  • Monoisotopic mass519.159241 Da
  • ChemSpider ID8318250

More details:

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

3,5-Dichlor-N-{3-[3-(1H-imidazol-2-yl)-2-(5,6,7,8-tetrahydro-8-chinolinyl)propyl]benzyl}isonicotinamid [German] [ACD/IUPAC Name]
3,5-Dichloro-N-{3-[3-(1H-imidazol-2-yl)-2-(5,6,7,8-tétrahydro-8-quinoléinyl)propyl]benzyl}isonicotinamide [French] [ACD/IUPAC Name]
3,5-Dichloro-N-{3-[3-(1H-imidazol-2-yl)-2-(5,6,7,8-tetrahydro-8-quinolinyl)propyl]benzyl}isonicotinamide [ACD/IUPAC Name]
4-Pyridinecarboxamide, 3,5-dichloro-N-[[3-[3-(1H-imidazol-2-yl)-2-(5,6,7,8-tetrahydro-8-quinolinyl)propyl]phenyl]methyl]- [ACD/Index 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: 756.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 411.3±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 142.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 3.82
ACD/KOC (pH 5.5): 14.76
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 424.17
ACD/KOC (pH 7.4): 1641.62
Polar Surface Area: 84 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 392.7±3.0 cm3

Click to predict properties on the Chemicalize site


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