ChemSpider 2D Image | N-[(3R,6R)-6-(2,3-Difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-azepanyl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)-1-piperidinecarboxamide | C26H27F5N6O3

N-[(3R,6R)-6-(2,3-Difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-azepanyl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)-1-piperidinecarboxamide

  • Molecular FormulaC26H27F5N6O3
  • Average mass566.523 Da
  • Monoisotopic mass566.206482 Da
  • ChemSpider ID82963355

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Piperidinecarboxamide, N-[(3R,6R)-6-(2,3-difluorophenyl)hexahydro-2-oxo-1-(2,2,2-trifluoroethyl)-1H-azepin-3-yl]-4-(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-1-yl)- [ACD/Index Name]
N-[(3R,6R)-6-(2,3-Difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-azepanyl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)-1-piperidinecarboxamide [ACD/IUPAC Name]
N-[(3R,6R)-6-(2,3-Difluorophényl)-2-oxo-1-(2,2,2-trifluoroéthyl)-3-azépanyl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]
N-[(3R,6R)-6-(2,3-Difluorphenyl)-2-oxo-1-(2,2,2-trifluorethyl)-3-azepanyl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)-1-piperidincarboxamid [German] [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: 1.613
Molar Refractivity: 132.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 64.80
ACD/KOC (pH 5.5): 671.79
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 70.80
ACD/KOC (pH 7.4): 734.01
Polar Surface Area: 98 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 380.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement