ChemSpider 2D Image | 4-Fluoro-Nalpha-(4-nitrobenzoyl)-N-{[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl}phenylalaninamide | C33H38FN5O4

4-Fluoro-Nα-(4-nitrobenzoyl)-N-{[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl}phenylalaninamide

  • Molecular FormulaC33H38FN5O4
  • Average mass587.684 Da
  • Monoisotopic mass587.290771 Da
  • ChemSpider ID120970061

More details:

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

4-Fluor-Nα-(4-nitrobenzoyl)-N-{[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl}phenylalaninamid [German] [ACD/IUPAC Name]
4-Fluoro-Nα-(4-nitrobenzoyl)-N-{[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl}phenylalaninamide [ACD/IUPAC Name]
4-Fluoro-Nα-(4-nitrobenzoyl)-N-{[1-(4-phényl-1-pipérazinyl)cyclohexyl]méthyl}phénylalaninamide [French] [ACD/IUPAC Name]
Benzenepropanamide, 4-fluoro-α-[(4-nitrobenzoyl)amino]-N-[[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl]- [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: 815.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 446.7±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 162.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 53.47
ACD/KOC (pH 5.5): 176.98
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2011.98
ACD/KOC (pH 7.4): 6659.92
Polar Surface Area: 111 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 469.7±3.0 cm3

Click to predict properties on the Chemicalize site


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