ChemSpider 2D Image | N-(3-Chlorophenyl)-4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methyl-1-piperazinecarboxamide | C27H24ClF3N4O3

N-(3-Chlorophenyl)-4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methyl-1-piperazinecarboxamide

  • Molecular FormulaC27H24ClF3N4O3
  • Average mass544.953 Da
  • Monoisotopic mass544.148926 Da
  • ChemSpider ID22759392

More details:

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

1-Piperazinecarboxamide, N-(3-chlorophenyl)-4-[2-methoxy-8-(trifluoromethyl)dibenz[b,f][1,4]oxazepin-11-yl]-2-methyl- [ACD/Index Name]
N-(3-Chlorophenyl)-4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methyl-1-piperazinecarboxamide [ACD/IUPAC Name]
N-(3-Chlorophényl)-4-[2-méthoxy-8-(trifluorométhyl)dibenzo[b,f][1,4]oxazépin-11-yl]-2-méthyl-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
N-(3-Chlorphenyl)-4-[2-methoxy-8-(trifluormethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methyl-1-piperazincarboxamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 136.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2320.77
ACD/KOC (pH 5.5): 8818.32
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2421.82
ACD/KOC (pH 7.4): 9202.27
Polar Surface Area: 66 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 386.9±7.0 cm3

Click to predict properties on the Chemicalize site


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