ChemSpider 2D Image | 1-[12-(2,4-Difluorophenyl)-3,4,5,6,7,8,9,10-octahydro-1,9-benzodiazacyclododecin-1(2H)-yl]-2-phenoxyethanone | C28H30F2N2O2

1-[12-(2,4-Difluorophenyl)-3,4,5,6,7,8,9,10-octahydro-1,9-benzodiazacyclododecin-1(2H)-yl]-2-phenoxyethanone

  • Molecular FormulaC28H30F2N2O2
  • Average mass464.547 Da
  • Monoisotopic mass464.227539 Da
  • ChemSpider ID77202018

More details:

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

1-[12-(2,4-Difluorophenyl)-3,4,5,6,7,8,9,10-octahydro-1,9-benzodiazacyclododecin-1(2H)-yl]-2-phenoxyethanone [ACD/IUPAC Name]
1-[12-(2,4-Difluorophényl)-3,4,5,6,7,8,9,10-octahydro-1,9-benzodiazacyclododécin-1(2H)-yl]-2-phénoxyéthanone [French] [ACD/IUPAC Name]
1-[12-(2,4-Difluorphenyl)-3,4,5,6,7,8,9,10-octahydro-1,9-benzodiazacyclododecin-1(2H)-yl]-2-phenoxyethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[12-(2,4-difluorophenyl)-3,4,5,6,7,8,9,10-octahydro-1,9-benzodiazacyclododecin-1(2H)-yl]-2-phenoxy- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 660.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.3±31.5 °C
Index of Refraction: 1.550
Molar Refractivity: 128.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.58
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 20697.19
ACD/KOC (pH 5.5): 42459.79
ACD/LogD (pH 7.4): 5.99
ACD/BCF (pH 7.4): 21189.23
ACD/KOC (pH 7.4): 43469.20
Polar Surface Area: 42 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 403.1±3.0 cm3

Click to predict properties on the Chemicalize site


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