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

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Properties Simple | Detailed

Formula C27H27FN4O5
IUPAC Name n-[(3r,4r)-4-[[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide
Molecular Mass 506.525 g·mol−1
Heat of Formation -713.1 ± 16.7 kJ·mol−1
Dipole Moment 5.22 ± 1.08 D
Volume 588.25 Å 3
Surface Area 428.66 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
Synonyms
  • i04
  • n-[(3r,4r)-4-[[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)benzoyl]amino]azepan-3-yl]isonicotinamide
  • n-[(3r,4r)-4-[[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide
  • n-[(3r,4r)-4-[[4-(2-fluoro-6-hydroxy-3-methoxy-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide
  • n-[(3r,4r)-4-[[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide
  • n-[(3r,4r)-4-[[[4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide
  • n-{(3r,4r)-4-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzoylamino]-azepan-3-yl}isonicotinamide
InChIKey KGSQEYHTCBVKAX-WOJBJXKFSA-N
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