ChemSpider 2D Image | (2R)-N-{(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-1-piperazinecarboxamide | C23H24F7N3O

(2R)-N-{(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-1-piperazinecarboxamide

  • Molecular FormulaC23H24F7N3O
  • Average mass491.445 Da
  • Monoisotopic mass491.180756 Da
  • ChemSpider ID23338118

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-N-{(1S)-1-[3,5-Bis(trifluormethyl)phenyl]ethyl}-2-(4-fluor-2-methylphenyl)-N-methyl-1-piperazincarboxamid [German] [ACD/IUPAC Name]
(2R)-N-{(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-1-piperazinecarboxamide [ACD/IUPAC Name]
(2R)-N-{(1S)-1-[3,5-Bis(trifluorométhyl)phényl]éthyl}-2-(4-fluoro-2-méthylphényl)-N-méthyl-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
(2R)-N-{(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide
1-piperazinecarboxamide, N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-, (2R)- [ACD/Index Name]
2-(R)-(4-Fluoro-2-methylphenyl)piperazine-1-carboxylic Acid [1-(S)-(3,5-Bis-trifluoromethylphenyl)ethyl]methyl-amide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 484.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 246.6±28.7 °C
Index of Refraction: 1.500
Molar Refractivity: 111.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 27.74
ACD/KOC (pH 5.5): 82.38
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1403.55
ACD/KOC (pH 7.4): 4167.59
Polar Surface Area: 36 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 378.2±3.0 cm3

Click to predict properties on the Chemicalize site


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