(3R,4R)-N-Hydroxy-4-[(4-{[2-(Trifluoromethyl)-1H-Benzimidazol-1-Yl]Methyl}Benzoyl)Amino]Tetrahydro-2H-Pyran-3-Carboxamide

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Properties Simple | Detailed

Formula C22H21F3N4O4
IUPAC Name n-[(3r,4r)-3-(hydroxycarbamoyl)tetrahydropyran-4-yl]-4-[[2-(trifluoromethyl)benzimidazol-1-ium-1-yl]methyl]benzamide
Molecular Mass 462.422 g·mol−1
Heat of Formation -893.7 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 505.96 Å 3
Surface Area 422.28 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4r)-n-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxane-3-carboxamide
  • (3r,4r)-n-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]carbonylamino]oxane-3-carboxamide
  • n-[(3r,4r)-3-(hydroxycarbamoyl)tetrahydropyran-4-yl]-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzamide
  • n-[(3r,4r)-3-[(hydroxyamino)-oxomethyl]-4-tetrahydropyranyl]-4-[[2-(trifluoromethyl)-1-benzimidazolyl]methyl]benzamide
InChIKey PGVYYPZKXKGBLD-JKSUJKDBSA-N
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