ChemSpider 2D Image | 4-Methyl-N-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}-3-(pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide | C29H27F3N6O

4-Methyl-N-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}-3-(pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide

  • Molecular FormulaC29H27F3N6O
  • Average mass532.560 Da
  • Monoisotopic mass532.219849 Da
  • ChemSpider ID71117361

More details:






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

4-Methyl-N-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluormethyl)phenyl}-3-(pyrazolo[1,5-a]pyrimidin-6-ylethinyl)benzamid [German] [ACD/IUPAC Name]
4-Methyl-N-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}-3-(pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide [ACD/IUPAC Name]
4-Méthyl-N-{4-[(4-méthyl-1-pipérazinyl)méthyl]-3-(trifluorométhyl)phényl}-3-(pyrazolo[1,5-a]pyrimidin-6-yléthynyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-methyl-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 145.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 6.22
ACD/KOC (pH 5.5): 33.62
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 276.50
ACD/KOC (pH 7.4): 1494.04
Polar Surface Area: 66 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 412.2±7.0 cm3

Click to predict properties on the Chemicalize site






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