ChemSpider 2D Image | Methyl 4,4,4-trifluoro-3-hydroxy-3-(1-methyl-1H-imidazol-2-yl)-2-[(4-phenyl-1-piperazinyl)methyl]butanoate | C20H25F3N4O3

Methyl 4,4,4-trifluoro-3-hydroxy-3-(1-methyl-1H-imidazol-2-yl)-2-[(4-phenyl-1-piperazinyl)methyl]butanoate

  • Molecular FormulaC20H25F3N4O3
  • Average mass426.433 Da
  • Monoisotopic mass426.187866 Da
  • ChemSpider ID21878030

More details:

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

1-Piperazinepropanoic acid, 4-phenyl-α-[2,2,2-trifluoro-1-hydroxy-1-(1-methyl-1H-imidazol-2-yl)ethyl]-, methyl ester [ACD/Index Name]
4,4,4-Trifluoro-3-hydroxy-3-(1-méthyl-1H-imidazol-2-yl)-2-[(4-phényl-1-pipérazinyl)méthyl]butanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 4,4,4-trifluoro-3-hydroxy-3-(1-methyl-1H-imidazol-2-yl)-2-[(4-phenyl-1-piperazinyl)methyl]butanoate [ACD/IUPAC Name]
Methyl-4,4,4-trifluor-3-hydroxy-3-(1-methyl-1H-imidazol-2-yl)-2-[(4-phenyl-1-piperazinyl)methyl]butanoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 616.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 326.4±31.5 °C
Index of Refraction: 1.563
Molar Refractivity: 105.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 76.24
ACD/KOC (pH 5.5): 437.55
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 537.97
ACD/KOC (pH 7.4): 3087.61
Polar Surface Area: 71 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 42.7±7.0 dyne/cm
Molar Volume: 324.7±7.0 cm3

Click to predict properties on the Chemicalize site


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