Telcagepant

Molecule SVG Image

Properties Simple | Detailed

Formula C26H27F5N6O3
IUPAC Name n-[(3r,6s)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3h-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
Molecular Mass 566.523 g·mol−1
Heat of Formation -1357.3 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 613.42 Å 3
Surface Area 478.26 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(3r,6s)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-azepanyl]-4-(2-oxo-3h-imidazo[4,5-b]pyridin-1-yl)-1-piperidinecarboxamide
InChIKey CGDZXLJGHVKVIE-DNVCBOLYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C F O N