ChemSpider 2D Image | N-(4-Bromo-2-fluorophenyl)-2-[(3-pyridinyloxy)methyl]-1-piperazinecarboxamide | C17H18BrFN4O2

N-(4-Bromo-2-fluorophenyl)-2-[(3-pyridinyloxy)methyl]-1-piperazinecarboxamide

  • Molecular FormulaC17H18BrFN4O2
  • Average mass409.253 Da
  • Monoisotopic mass408.059723 Da
  • ChemSpider ID34249489

More details:

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

1-Piperazinecarboxamide, N-(4-bromo-2-fluorophenyl)-2-[(3-pyridinyloxy)methyl]- [ACD/Index Name]
N-(4-Brom-2-fluorphenyl)-2-[(3-pyridinyloxy)methyl]-1-piperazincarboxamid [German] [ACD/IUPAC Name]
N-(4-Bromo-2-fluorophenyl)-2-[(3-pyridinyloxy)methyl]-1-piperazinecarboxamide [ACD/IUPAC Name]
N-(4-Bromo-2-fluorophényl)-2-[(3-pyridinyloxy)méthyl]-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 580.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.8±30.1 °C
Index of Refraction: 1.613
Molar Refractivity: 95.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.97
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 15.19
ACD/KOC (pH 7.4): 191.16
Polar Surface Area: 66 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 275.2±3.0 cm3

Click to predict properties on the Chemicalize site


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