ChemSpider 2D Image | (S)-2-(4-Chlorophenyl)-2-Pyridin-3-Yl-1-[4-[4-(Trifluoromethyl)phenyl]piperazin-1-Yl]ethanone | C24H21ClF3N3O

(S)-2-(4-Chlorophenyl)-2-Pyridin-3-Yl-1-[4-[4-(Trifluoromethyl)phenyl]piperazin-1-Yl]ethanone

  • Molecular FormulaC24H21ClF3N3O
  • Average mass459.891 Da
  • Monoisotopic mass459.132538 Da
  • ChemSpider ID31126799

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(4-Chlorophenyl)-2-(3-pyridinyl)-1-{4-[4-(trifluoromethyl)phenyl]-1-piperazinyl}ethanone [ACD/IUPAC Name]
(2S)-2-(4-Chlorophényl)-2-(3-pyridinyl)-1-{4-[4-(trifluorométhyl)phényl]-1-pipérazinyl}éthanone [French] [ACD/IUPAC Name]
(2S)-2-(4-Chlorphenyl)-2-(3-pyridinyl)-1-{4-[4-(trifluormethyl)phenyl]-1-piperazinyl}ethanon [German] [ACD/IUPAC Name]
(S)-2-(4-Chlorophenyl)-2-Pyridin-3-Yl-1-[4-[4-(Trifluoromethyl)phenyl]piperazin-1-Yl]ethanone
Ethanone, 2-(4-chlorophenyl)-2-(3-pyridinyl)-1-[4-[4-(trifluoromethyl)phenyl]-1-piperazinyl]-, (2S)- [ACD/Index Name]
MMV689244
UDO

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

Density: 1.3±0.1 g/cm3
Boiling Point: 621.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 329.7±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 116.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1941.50
ACD/KOC (pH 5.5): 7789.78
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2000.14
ACD/KOC (pH 7.4): 8025.06
Polar Surface Area: 36 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 347.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement