ChemSpider 2D Image | 3,3-Dimethyl-1-{4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepan-1-yl}-1-butanone | C25H28F3N3O2

3,3-Dimethyl-1-{4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepan-1-yl}-1-butanone

  • Molecular FormulaC25H28F3N3O2
  • Average mass459.504 Da
  • Monoisotopic mass459.213348 Da
  • ChemSpider ID22757884

More details:

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

1-Butanone, 1-[hexahydro-4-[7-(trifluoromethyl)dibenz[b,f][1,4]oxazepin-11-yl]-1H-1,4-diazepin-1-yl]-3,3-dimethyl- [ACD/Index Name]
3,3-Dimethyl-1-{4-[7-(trifluormethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepan-1-yl}-1-butanon [German] [ACD/IUPAC Name]
3,3-Dimethyl-1-{4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-1,4-diazepan-1-yl}-1-butanone [ACD/IUPAC Name]
3,3-Diméthyl-1-{4-[7-(trifluorométhyl)dibenzo[b,f][1,4]oxazépin-11-yl]-1,4-diazépan-1-yl}-1-butanone [French] [ACD/IUPAC 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: 561.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.3±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 120.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 952.51
ACD/KOC (pH 5.5): 4703.90
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 963.36
ACD/KOC (pH 7.4): 4757.51
Polar Surface Area: 45 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 39.4±7.0 dyne/cm
Molar Volume: 367.5±7.0 cm3

Click to predict properties on the Chemicalize site


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