ChemSpider 2D Image | [4-(2-Methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl][2-(trifluoromethyl)phenyl]methanone | C27H24F3N3O2

[4-(2-Methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl][2-(trifluoromethyl)phenyl]methanone

  • Molecular FormulaC27H24F3N3O2
  • Average mass479.494 Da
  • Monoisotopic mass479.182068 Da
  • ChemSpider ID22757803

More details:

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

[4-(2-Methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl][2-(trifluormethyl)phenyl]methanon [German] [ACD/IUPAC Name]
[4-(2-Methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl][2-(trifluoromethyl)phenyl]methanone [ACD/IUPAC Name]
[4-(2-Méthyldibenzo[b,f][1,4]oxazépin-11-yl)-1,4-diazépan-1-yl][2-(trifluorométhyl)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [hexahydro-4-(2-methyldibenz[b,f][1,4]oxazepin-11-yl)-1H-1,4-diazepin-1-yl][2-(trifluoromethyl)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: 612.7±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: 324.4±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: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1039.84
ACD/KOC (pH 5.5): 4765.05
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1250.37
ACD/KOC (pH 7.4): 5729.81
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