ChemSpider 2D Image | N-(3-Acetamidophenyl)-Nalpha-{4-[4-(2,2-dimethylpropanoyl)-1-piperazinyl]benzoyl}-4-fluorophenylalaninamide | C33H38FN5O4

N-(3-Acetamidophenyl)-Nα-{4-[4-(2,2-dimethylpropanoyl)-1-piperazinyl]benzoyl}-4-fluorophenylalaninamide

  • Molecular FormulaC33H38FN5O4
  • Average mass587.684 Da
  • Monoisotopic mass587.290771 Da
  • ChemSpider ID120814541

More details:

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

Benzenepropanamide, N-[3-(acetylamino)phenyl]-α-[[4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]benzoyl]amino]-4-fluoro- [ACD/Index Name]
N-(3-Acetamidophenyl)-Nα-{4-[4-(2,2-dimethylpropanoyl)-1-piperazinyl]benzoyl}-4-fluorophenylalaninamide [ACD/IUPAC Name]
N-(3-Acétamidophényl)-Nα-{4-[4-(2,2-diméthylpropanoyl)-1-pipérazinyl]benzoyl}-4-fluorophénylalaninamide [French] [ACD/IUPAC Name]
N-(3-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: 890.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.4±3.0 kJ/mol
Flash Point: 492.3±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: 3.37
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 232.24
ACD/KOC (pH 5.5): 1718.27
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 232.35
ACD/KOC (pH 7.4): 1719.08
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


Advertisement