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ChemSpider 2D Image | 3-(1H-Imidazo[4,5-b]pyridin-6-ylethynyl)-4-methyl-N-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}benzamide | C29H27F3N6O

3-(1H-Imidazo[4,5-b]pyridin-6-ylethynyl)-4-methyl-N-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}benzamide

  • Molecular FormulaC29H27F3N6O
  • Average mass532.560 Da
  • Monoisotopic mass532.219849 Da
  • ChemSpider ID25044005

More details:

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

3-(1H-Imidazo[4,5-b]pyridin-6-ylethinyl)-4-methyl-N-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluormethyl)phenyl}benzamid [German] [ACD/IUPAC Name]
3-(1H-Imidazo[4,5-b]pyridin-6-ylethynyl)-4-methyl-N-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}benzamide [ACD/IUPAC Name]
3-(1H-Imidazo[4,5-b]pyridin-6-yléthynyl)-4-méthyl-N-{4-[(4-méthyl-1-pipérazinyl)méthyl]-3-(trifluorométhyl)phényl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[2-(3H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-4-methyl-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]- [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: 662.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.1±31.5 °C
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: 3.78
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 5.47
ACD/KOC (pH 5.5): 29.14
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 242.02
ACD/KOC (pH 7.4): 1290.12
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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