ChemSpider 2D Image | N-(4-Acetamidophenyl)-Nalpha-{4-[4-(2,2-dimethylpropanoyl)-1-piperazinyl]benzoyl}-4-fluorophenylalaninamide | C33H38FN5O4

N-(4-Acetamidophenyl)-Nα-{4-[4-(2,2-dimethylpropanoyl)-1-piperazinyl]benzoyl}-4-fluorophenylalaninamide

  • Molecular FormulaC33H38FN5O4
  • Average mass587.684 Da
  • Monoisotopic mass587.290771 Da
  • ChemSpider ID120816037

More details:

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

Benzenepropanamide, N-[4-(acetylamino)phenyl]-α-[[4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]benzoyl]amino]-4-fluoro- [ACD/Index Name]
N-(4-Acetamidophenyl)-Nα-{4-[4-(2,2-dimethylpropanoyl)-1-piperazinyl]benzoyl}-4-fluorophenylalaninamide [ACD/IUPAC Name]
N-(4-Acétamidophényl)-Nα-{4-[4-(2,2-diméthylpropanoyl)-1-pipérazinyl]benzoyl}-4-fluorophénylalaninamide [French] [ACD/IUPAC Name]
N-(4-Acetamidophenyl)-Nα-{4-[4-(2,2-dimethylpropanoyl)-1-piperazinyl]benzoyl}-4-fluorphenylalaninamid [German] [ACD/IUPAC 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: 894.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.1±3.0 kJ/mol
Flash Point: 494.9±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 163.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 135.55
ACD/KOC (pH 5.5): 1168.68
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 135.63
ACD/KOC (pH 7.4): 1169.33
Polar Surface Area: 111 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 466.3±3.0 cm3

Click to predict properties on the Chemicalize site


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