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

(2S)-1-(4-{3-[Bis(4-fluorophenyl)amino]propyl}-1-piperazinyl)-3-phenyl-2-propanyl acetate

  • Molecular FormulaC30H35F2N3O2
  • Average mass507.615 Da
  • Monoisotopic mass507.269745 Da
  • ChemSpider ID24706567

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(4-{3-[Bis(4-fluorophenyl)amino]propyl}-1-piperazinyl)-3-phenyl-2-propanyl acetate [ACD/IUPAC Name]
(2S)-1-(4-{3-[Bis(4-fluorphenyl)amino]propyl}-1-piperazinyl)-3-phenyl-2-propanyl-acetat [German] [ACD/IUPAC Name]
1-Piperazineethanol, 4-[3-[bis(4-fluorophenyl)amino]propyl]-α-(phenylmethyl)-, acetate (ester), (αS)- [ACD/Index Name]
Acétate de (2S)-1-(4-{3-[bis(4-fluorophényl)amino]propyl}-1-pipérazinyl)-3-phényl-2-propanyle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL495726/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 607.0±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: 320.9±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 142.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 151.73
ACD/KOC (pH 5.5): 375.48
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 5632.21
ACD/KOC (pH 7.4): 13938.07
Polar Surface Area: 36 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 431.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement