3-{5-[(2R)-2-Amino-1-Phenyl-2-Propanyl]-1,3,4-Oxadiazol-2-Yl}-N-[(1R)-1-(4-Fluorophenyl)Ethyl]-5-[Methyl(Methylsulfonyl)Amino]Benzamide

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Properties Simple | Detailed

Formula C28H30FN5O4S
IUPAC Name 3-[5-[(1r)-1-amino-1-methyl-2-phenyl-ethyl]-1,3,4-oxadiazol-2-yl]-n-[(1r)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide
Molecular Mass 551.632 g·mol−1
Heat of Formation -480.7 ± 16.7 kJ·mol−1
Dipole Moment 7.32 ± 1.08 D
Volume 640.67 Å 3
Surface Area 461.18 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[5-[(1r)-1-amino-1-methyl-2-phenyl-ethyl]-1,3,4-oxadiazol-2-yl]-n-[(1r)-1-(4-fluorophenyl)ethyl]-5-(mesyl-methyl-amino)benzamide
  • 3-[5-[(1r)-1-amino-1-methyl-2-phenyl-ethyl]-1,3,4-oxadiazol-2-yl]-n-[(1r)-1-(4-fluorophenyl)ethyl]-5-(methyl-methylsulfonyl-amino)benzamide
  • 3-[5-[(1r)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl]-n-[(1r)-1-(4-fluorophenyl)ethyl]-5-(methyl-methylsulfonylamino)benzamide
  • 3-[5-[(2r)-2-amino-1-phenyl-propan-2-yl]-1,3,4-oxadiazol-2-yl]-n-[(1r)-1-(4-fluorophenyl)ethyl]-5-(methyl-methylsulfonyl-amino)benzamide
  • 3-[5-[(2r)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-n-[(1r)-1-(4-fluorophenyl)ethyl]-5-(methyl-methylsulfonylamino)benzamide
  • i02
InChIKey QEJSJQVKMSAHHX-KWMCUTETSA-N
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