ChemSpider 2D Image | (2E)-3-(2-Ethoxyphenyl)-1-{4-[(S)-(2-fluorophenyl)(4-fluorophenyl)methyl]-1-piperazinyl}-2-propen-1-one | C28H28F2N2O2

(2E)-3-(2-Ethoxyphenyl)-1-{4-[(S)-(2-fluorophenyl)(4-fluorophenyl)methyl]-1-piperazinyl}-2-propen-1-one

  • Molecular FormulaC28H28F2N2O2
  • Average mass462.531 Da
  • Monoisotopic mass462.211884 Da
  • ChemSpider ID30657768

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E)-3-(2-Ethoxyphenyl)-1-{4-[(S)-(2-fluorophenyl)(4-fluorophenyl)methyl]-1-piperazinyl}-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(2-Éthoxyphényl)-1-{4-[(S)-(2-fluorophényl)(4-fluorophényl)méthyl]-1-pipérazinyl}-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-3-(2-Ethoxyphenyl)-1-{4-[(S)-(2-fluorphenyl)(4-fluorphenyl)methyl]-1-piperazinyl}-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 3-(2-ethoxyphenyl)-1-[4-[(S)-(2-fluorophenyl)(4-fluorophenyl)methyl]-1-piperazinyl]-, (2E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 592.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.2±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 130.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3564.48
ACD/KOC (pH 5.5): 11916.66
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3798.70
ACD/KOC (pH 7.4): 12699.69
Polar Surface Area: 33 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 379.8±3.0 cm3

Click to predict properties on the Chemicalize site


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