Anacetrapib

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Properties Simple | Detailed

Formula C19H33F10NO3
IUPAC Name (4s,5r)-3-[(2-ethylphenyl)methyl]-4-methyl-5-phenyl-oxazolidin-2-one decafluoride hydrate
Molecular Mass 513.454 g·mol−1
Heat of Formation -2530.5 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 671.73 Å 3
Surface Area 514.82 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 1.57 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-fluoro-5-isopropyl-2-methoxy-phenyl)-5-(trifluoromethyl)benzyl]-4-methyl-oxazolidin-2-one
  • (4s,5r)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-yl-phenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
  • (4s,5r)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
  • (4s,5r)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-5-isopropyl-2-methoxy-phenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-oxazolidin-2-one
  • (4s,5r)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-5-isopropyl-2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-2-oxazolidinone
InChIKey MZZLGJHLQGUVPN-HAWMADMCSA-N
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