ChemSpider 2D Image | 1-{2-Methyl-4-[8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1-piperazinyl}-2-phenylethanone | C27H24F3N3O2

1-{2-Methyl-4-[8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1-piperazinyl}-2-phenylethanone

  • Molecular FormulaC27H24F3N3O2
  • Average mass479.494 Da
  • Monoisotopic mass479.182068 Da
  • ChemSpider ID22757961

More details:

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

1-{2-Methyl-4-[8-(trifluormethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1-piperazinyl}-2-phenylethanon [German] [ACD/IUPAC Name]
1-{2-Methyl-4-[8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1-piperazinyl}-2-phenylethanone [ACD/IUPAC Name]
1-{2-Méthyl-4-[8-(trifluorométhyl)dibenzo[b,f][1,4]oxazépin-11-yl]-1-pipérazinyl}-2-phényléthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[2-methyl-4-[8-(trifluoromethyl)dibenz[b,f][1,4]oxazepin-11-yl]-1-piperazinyl]-2-phenyl- [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: 613.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 324.5±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 127.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2021.40
ACD/KOC (pH 5.5): 7977.19
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2119.61
ACD/KOC (pH 7.4): 8364.78
Polar Surface Area: 45 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 367.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement