ChemSpider 2D Image | 1-(2-Quinolinylcarbonyl)-4-[2-(trifluoromethyl)benzyl]-1,4-diazepan-5-one | C23H20F3N3O2

1-(2-Quinolinylcarbonyl)-4-[2-(trifluoromethyl)benzyl]-1,4-diazepan-5-one

  • Molecular FormulaC23H20F3N3O2
  • Average mass427.419 Da
  • Monoisotopic mass427.150757 Da
  • ChemSpider ID22221170

More details:

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

1-(2-Chinolinylcarbonyl)-4-[2-(trifluormethyl)benzyl]-1,4-diazepan-5-on [German] [ACD/IUPAC Name]
1-(2-Quinoléinylcarbonyl)-4-[2-(trifluorométhyl)benzyl]-1,4-diazépan-5-one [French] [ACD/IUPAC Name]
1-(2-Quinolinylcarbonyl)-4-[2-(trifluoromethyl)benzyl]-1,4-diazepan-5-one [ACD/IUPAC Name]
5H-1,4-Diazepin-5-one, hexahydro-1-(2-quinolinylcarbonyl)-4-[[2-(trifluoromethyl)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: 611.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.7±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 110.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.44
ACD/KOC (pH 5.5): 908.77
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 95.64
ACD/KOC (pH 7.4): 910.65
Polar Surface Area: 54 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 319.0±3.0 cm3

Click to predict properties on the Chemicalize site


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