ChemSpider 2D Image | (2R)-4-[4-Fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1H-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine | C20H19F4N5O2S

(2R)-4-[4-Fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1H-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine

  • Molecular FormulaC20H19F4N5O2S
  • Average mass469.456 Da
  • Monoisotopic mass469.119568 Da
  • ChemSpider ID23342272

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-4-[4-Fluor-2-(trifluormethyl)phenyl]-2-methyl-1-{[3-(1H-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazin [German] [ACD/IUPAC Name]
(2R)-4-[4-Fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1H-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine [ACD/IUPAC Name]
(2R)-4-[4-Fluoro-2-(trifluorométhyl)phényl]-2-méthyl-1-{[3-(1H-1,2,4-triazol-1-yl)phényl]sulfonyl}pipérazine [French] [ACD/IUPAC Name]
Piperazine, 4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-[[3-(1H-1,2,4-triazol-1-yl)phenyl]sulfonyl]-, (2R)- [ACD/Index Name]
17R
CHEMBL518303
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL518303/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 613.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 325.1±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 112.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 159.32
ACD/KOC (pH 5.5): 1309.76
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 160.33
ACD/KOC (pH 7.4): 1318.07
Polar Surface Area: 80 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 318.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement