2-{5-[(1S)-1-[3-(Cyclopropyloxy)-4-(Difluoromethoxy)Phenyl]-2-(1-Oxido-3-Pyridinyl)Ethyl]-1,3-Thiazol-2-Yl}-1,1,1,3,3,3-Hexafluoro-2-Propanol

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Properties Simple | Detailed

Formula C23H18F8N2O4S
IUPAC Name 2-[5-[(1s)-1-[3-(cyclopropoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopiperidine-2,3,4,5,6-pentaid-3-yl)ethyl]thiazol-3-ium-5-id-2-yl]-1,1,1,3,3,3-hexafluoro-propan-2-ol
Molecular Mass 570.452 g·mol−1
Heat of Formation -1849.6 ± 16.7 kJ·mol−1
Dipole Moment 4.31 ± 1.08 D
Volume 575.93 Å 3
Surface Area 448.08 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 1.31 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[5-[(1s)-1-[3-(cyclopropoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxido-3-pyridin-1-iumyl)ethyl]-2-thiazolyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
  • 2-[5-[(1s)-1-[3-(cyclopropoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-3-yl)ethyl]thiazol-2-yl]-1,1,1,3,3,3-hexafluoro-propan-2-ol
  • 2-[5-[(1s)-1-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-3-yl)ethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoro-propan-2-ol
  • 2-[5-[(1s)-1-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-3-yl)ethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
InChIKey YDLQPURWTSDWCC-HNNXBMFYSA-N
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