(R)-3-(2-(3-Cyclopropoxy-4-(Difluoromethoxy)Phenyl)-2-(5-(1,1,1,3,3,3-Hexafluoro-2-Hydroxypropan-2-Yl)Thiazol-2-Yl)Ethyl)Pyridine 1-Oxide

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Formula C23H18F8N2O4S
IUPAC Name 2-[2-[(1r)-1-[3-(cyclopropoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopiperidine-2,3,4,5,6-pentaid-3-yl)ethyl]thiazol-3-ium-5-id-5-yl]-1,1,1,3,3,3-hexafluoro-propan-2-ol
Molecular Mass 570.452 g·mol−1
Heat of Formation -1862.2 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 575.43 Å 3
Surface Area 464.5 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 1.34 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-[(1r)-1-[3-(cyclopropoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxido-3-pyridin-1-iumyl)ethyl]-5-thiazolyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
  • 2-[2-[(1r)-1-[3-(cyclopropoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-3-yl)ethyl]thiazol-5-yl]-1,1,1,3,3,3-hexafluoro-propan-2-ol
  • 2-[2-[(1r)-1-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-3-yl)ethyl]-1,3-thiazol-5-yl]-1,1,1,3,3,3-hexafluoro-propan-2-ol
  • 2-[2-[(1r)-1-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-3-yl)ethyl]-1,3-thiazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
  • 2-{2-[(1r)-1-[3-(cyclopropyloxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-3-yl)ethyl]-1,3-thiazol-5-yl}-1,1,1,3,3,3-hexafluoropropan-2-ol
  • m99
InChIKey SPOLCPORTSDTGD-OAHLLOKOSA-N
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