Befetupitant

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Formula C29H28F6N3O2
IUPAC Name 2-[3,5-bis(trifluoromethyl)phenyl]-n,2-dimethyl-n-[4-(2-methylphenyl)-6-morpholin-4-ylpyridin-3-yl]propanamide
Molecular Mass 564.542 g·mol−1
Heat of Formation 473.8 ± 16.7 kJ·mol−1
Dipole Moment 32.40 ± 1.08 D
Volume 620.68 Å 3
Surface Area 480.9 Å 2
HOMO Energy -6.51 ± 0.55 eV
LUMO Energy -4.45 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3,5-bis(trifluoromethyl)phenyl)-n-(4-(2-methylphenyl)-6-(morpholin-4-yl)pyridin-3-yl)-n-methylisobutyramide
  • 2-[3,5-bis(trifluoromethyl)phenyl]-n,2-dimethyl-n-[4-(2-methylphenyl)-6-morpholin-4-yl-pyridin-3-yl]propanamide
  • 2-[3,5-bis(trifluoromethyl)phenyl]-n,2-dimethyl-n-[4-(2-methylphenyl)-6-morpholino-3-pyridyl]propanamide
  • 2-[3,5-bis(trifluoromethyl)phenyl]-n,2-dimethyl-n-[4-(2-methylphenyl)-6-morpholino-3-pyridyl]propionamide
  • befetupitant (usan)
  • d03221
  • ro 67-5930
CAS Number(s)
  • 290296-68-3
InChIKey ZGNPLCMMVKCTHM-UHFFFAOYSA-N
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