ChemSpider 2D Image | 5-Bromo-N-{4-[(4-ethyl-1-piperazinyl)methyl]benzyl}nicotinamide | C20H25BrN4O

5-Bromo-N-{4-[(4-ethyl-1-piperazinyl)methyl]benzyl}nicotinamide

  • Molecular FormulaC20H25BrN4O
  • Average mass417.343 Da
  • Monoisotopic mass416.121155 Da
  • ChemSpider ID30508459

More details:

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

3-Pyridinecarboxamide, 5-bromo-N-[[4-[(4-ethyl-1-piperazinyl)methyl]phenyl]methyl]- [ACD/Index Name]
5-Brom-N-{4-[(4-ethyl-1-piperazinyl)methyl]benzyl}nicotinamid [German] [ACD/IUPAC Name]
5-Bromo-N-{4-[(4-ethyl-1-piperazinyl)methyl]benzyl}nicotinamide [ACD/IUPAC Name]
5-Bromo-N-{4-[(4-éthyl-1-pipérazinyl)méthyl]benzyl}nicotinamide [French] [ACD/IUPAC Name]
5-BROMO-N-({4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}METHYL)PYRIDINE-3-CARBOXAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 556.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 290.2±30.1 °C
Index of Refraction: 1.602
Molar Refractivity: 108.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.83
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 11.82
ACD/KOC (pH 7.4): 141.53
Polar Surface Area: 48 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 314.9±3.0 cm3

Click to predict properties on the Chemicalize site


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