ChemSpider 2D Image | 3-(4-{3-[Bis(4-fluorophenyl)amino]propyl}-1-piperazinyl)-1-phenylpropyl acetate | C30H35F2N3O2

3-(4-{3-[Bis(4-fluorophenyl)amino]propyl}-1-piperazinyl)-1-phenylpropyl acetate

  • Molecular FormulaC30H35F2N3O2
  • Average mass507.615 Da
  • Monoisotopic mass507.269745 Da
  • ChemSpider ID24707706

More details:

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

1-Piperazinepropanol, 4-[3-[bis(4-fluorophenyl)amino]propyl]-α-phenyl-, acetate (ester) [ACD/Index Name]
3-(4-{3-[Bis(4-fluorophenyl)amino]propyl}-1-piperazinyl)-1-phenylpropyl acetate [ACD/IUPAC Name]
3-(4-{3-[Bis(4-fluorphenyl)amino]propyl}-1-piperazinyl)-1-phenylpropyl-acetat [German] [ACD/IUPAC Name]
Acétate de 3-(4-{3-[bis(4-fluorophényl)amino]propyl}-1-pipérazinyl)-1-phénylpropyle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL498600/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 607.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 321.0±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 142.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 86.85
ACD/KOC (pH 5.5): 219.72
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 3923.22
ACD/KOC (pH 7.4): 9925.17
Polar Surface Area: 36 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 432.1±3.0 cm3

Click to predict properties on the Chemicalize site


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