N-[(3R,4R)-4-{[4-(2-Fluoro-6-Hydroxy-3-Methoxybenzoyl)Benzyl]Oxy}-3-Azepanyl]Isonicotinamide

Molecule SVG Image

Properties Simple | Detailed

Formula C27H28FN3O5
IUPAC Name n-[(3r,4r)-4-[[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)phenyl]methoxy]azepan-3-yl]pyridine-4-carboxamide
Molecular Mass 493.527 g·mol−1
Heat of Formation -700.3 ± 16.7 kJ·mol−1
Dipole Moment 8.45 ± 1.08 D
Volume 575.57 Å 3
Surface Area 435.64 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4r)-n-{4-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzyloxy]-azepan-3-yl}-isonicotinamide
  • i05
  • n-[(3r,4r)-4-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)benzyl]oxyazepan-3-yl]isonicotinamide
  • n-[(3r,4r)-4-[[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)phenyl]methoxy]azepan-3-yl]pyridine-4-carboxamide
  • n-[(3r,4r)-4-[[4-(2-fluoro-6-hydroxy-3-methoxy-phenyl)carbonylphenyl]methoxy]azepan-3-yl]pyridine-4-carboxamide
  • n-[(3r,4r)-4-[[4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-oxomethyl]phenyl]methoxy]-3-azepanyl]-4-pyridinecarboxamide
InChIKey PDMPNESLWSOZQA-IFMALSPDSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F