ChemSpider 2D Image | 2-(4-{(3E)-3-[2-(Trifluoromethyl)-4a,9a-dihydro-9H-thioxanthen-9-ylidene]propyl}-1-piperazinyl)ethanol | C23H27F3N2OS

2-(4-{(3E)-3-[2-(Trifluoromethyl)-4a,9a-dihydro-9H-thioxanthen-9-ylidene]propyl}-1-piperazinyl)ethanol

  • Molecular FormulaC23H27F3N2OS
  • Average mass436.534 Da
  • Monoisotopic mass436.179626 Da
  • ChemSpider ID21864744

More details:

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

2-(4-{3-[2-(trifluoromethyl)-4a,9a-dihydro-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethanol
2-(4-{3-[2-(trifluoromethyl)-9,9a-dihydro-4aH-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethan-1-ol
2-Trifluoromethyl-9-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propylidene)thioxanthene
2-Trifluoromethyl-9-(3-(4-(β-hydroxyethyl)-1-piperazinyl)propylidene)thioxanthene
4-(3-(2-(trifluoromethyl)-9h-thioxanthen-9-ylidene)propyl)-1-piperazineethanol
4-(3-(2-(Trifluoromethyl)thioxanthen-9-ylidene)propyl)-1-piperazineethanol
Depixol [Trade name]
Depixol (Trade name)
Depixol; Fluanxol; Jexit
Fluanxol
More...

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

  • Miscellaneous

    • Toxicity:

      Organic Compound; Amine; Organofluoride; Ether; Drug; Antipsychotic Agent; Dopamine Antagonist; Metabolite; Thioxanthene; Synthetic Compound Toxin, Toxin-Target Database T3D2920

    • Chemical Class:

      A thioxanthene derivative having a trifluoromethyl substituent at the 2-position and a 3-(4-(2-hydroxyethyl)piperazin-1-yl)propylidene group at the 10-position with undefined double bond stereochemist ry. ChEBI CHEBI:5121

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

Density: 1.3±0.1 g/cm3
Boiling Point: 524.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 270.9±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 117.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 9.32
ACD/KOC (pH 5.5): 53.47
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 317.36
ACD/KOC (pH 7.4): 1821.77
Polar Surface Area: 52 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 338.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement