ChemSpider 2D Image | compound 24 [PMID: 23441572] | C29H27F3N6O

compound 24 [PMID: 23441572]

  • Molecular FormulaC29H27F3N6O
  • Average mass532.560 Da
  • Monoisotopic mass532.219849 Da
  • ChemSpider ID29412358

More details:






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

3-(Imidazo[1,2-a]pyrazin-5-ylethinyl)-4-methyl-N-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluormethyl)phenyl}benzamid [German] [ACD/IUPAC Name]
3-(Imidazo[1,2-a]pyrazin-5-ylethynyl)-4-methyl-N-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}benzamide [ACD/IUPAC Name]
3-(Imidazo[1,2-a]pyrazin-5-yléthynyl)-4-méthyl-N-{4-[(4-méthyl-1-pipérazinyl)méthyl]-3-(trifluorométhyl)phényl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-(2-imidazo[1,2-a]pyrazin-5-ylethynyl)-4-methyl-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]- [ACD/Index Name]
compound 24 [PMID: 23441572]
10.1021/jm400099d
3-(2-imidazo[1,2-a]pyrazin-5-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
compound 24 [PMID 23441572]

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: 3.34
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 4.23
ACD/KOC (pH 5.5): 25.47
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 188.80
ACD/KOC (pH 7.4): 1136.95
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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