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Search term: CPUMMWVRFYEEPF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-Methyl-N-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}-3-(5H-pyrrolo[2,3-b]pyrazin-2-ylethynyl)benzamide | C29H27F3N6O

4-Methyl-N-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}-3-(5H-pyrrolo[2,3-b]pyrazin-2-ylethynyl)benzamide

  • Molecular FormulaC29H27F3N6O
  • Average mass532.560 Da
  • Monoisotopic mass532.219849 Da
  • ChemSpider ID76734768

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-(5H-pyrrolo[2,3-b]pyrazin-2-ylethinyl)benzamid [German] [ACD/IUPAC Name]
4-Methyl-N-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}-3-(5H-pyrrolo[2,3-b]pyrazin-2-ylethynyl)benzamide [ACD/IUPAC Name]
4-Méthyl-N-{4-[(4-méthyl-1-pipérazinyl)méthyl]-3-(trifluorométhyl)phényl}-3-(5H-pyrrolo[2,3-b]pyrazin-2-yléthynyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-methyl-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(5H-pyrrolo[2,3-b]pyrazin-2-yl)ethynyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 142.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 10.92
ACD/KOC (pH 5.5): 50.28
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 485.20
ACD/KOC (pH 7.4): 2234.25
Polar Surface Area: 77 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 69.0±5.0 dyne/cm
Molar Volume: 381.7±5.0 cm3

Click to predict properties on the Chemicalize site


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