ChemSpider 2D Image | N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-4-({8-[1-(4,4,4-trifluorobutanoyl)-1,2,3,6-tetrahydro-4-pyridinyl][1,2,4]triazolo[1,5-a]pyridin-2-yl}amino)benzamide | C29H32F3N7O2

N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-4-({8-[1-(4,4,4-trifluorobutanoyl)-1,2,3,6-tetrahydro-4-pyridinyl][1,2,4]triazolo[1,5-a]pyridin-2-yl}amino)benzamide

  • Molecular FormulaC29H32F3N7O2
  • Average mass567.605 Da
  • Monoisotopic mass567.256958 Da
  • ChemSpider ID129033764

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-4-[[8-[1,2,3,6-tetrahydro-1-(4,4,4-trifluoro-1-oxobutyl)-4-pyridinyl][1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]- [ACD/Index Name]
N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-4-({8-[1-(4,4,4-trifluorbutanoyl)-1,2,3,6-tetrahydro-4-pyridinyl][1,2,4]triazolo[1,5-a]pyridin-2-yl}amino)benzamid [German] [ACD/IUPAC Name]
N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-4-({8-[1-(4,4,4-trifluorobutanoyl)-1,2,3,6-tetrahydro-4-pyridinyl][1,2,4]triazolo[1,5-a]pyridin-2-yl}amino)benzamide [ACD/IUPAC Name]
N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-4-({8-[1-(4,4,4-trifluorobutanoyl)-1,2,3,6-tétrahydro-4-pyridinyl][1,2,4]triazolo[1,5-a]pyridin-2-yl}amino)benzamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.683
Molar Refractivity: 146.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.18
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 1.12
ACD/KOC (pH 7.4): 8.89
Polar Surface Area: 95 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 387.3±7.0 cm3

Click to predict properties on the Chemicalize site


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