ChemSpider 2D Image | 1-{4-[2-Methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1-piperazinyl}-2-phenyl-1-butanone | C29H28F3N3O3

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

  • Molecular FormulaC29H28F3N3O3
  • Average mass523.546 Da
  • Monoisotopic mass523.208252 Da
  • ChemSpider ID22758115

More details:

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

1-{4-[2-Methoxy-8-(trifluormethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1-piperazinyl}-2-phenyl-1-butanon [German] [ACD/IUPAC Name]
1-{4-[2-Methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1-piperazinyl}-2-phenyl-1-butanone [ACD/IUPAC Name]
1-{4-[2-Méthoxy-8-(trifluorométhyl)dibenzo[b,f][1,4]oxazépin-11-yl]-1-pipérazinyl}-2-phényl-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[4-[2-methoxy-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: 651.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.0±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 137.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2613.75
ACD/KOC (pH 5.5): 9613.15
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2716.20
ACD/KOC (pH 7.4): 9989.95
Polar Surface Area: 54 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 42.2±7.0 dyne/cm
Molar Volume: 405.1±7.0 cm3

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