Velusetrag

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Properties Simple | Detailed

Formula C25H36N4O5S
IUPAC Name n-[(1r,5s)-8-[(2r)-2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-isopropyl-2-oxo-quinoline-3-carboxamide
Molecular Mass 504.642 g·mol−1
Heat of Formation -852.0 ± 16.7 kJ·mol−1
Dipole Moment 8.51 ± 1.08 D
Volume 598.21 Å 3
Surface Area 495.89 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1r,5s)-8-[(2r)-2-hydroxy-3-(mesyl-methyl-amino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-isopropyl-2-keto-quinoline-3-carboxamide
  • n-[(1r,5s)-8-[(2r)-2-hydroxy-3-(methyl-methylsulfonyl-amino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-isopropyl-2-oxo-quinoline-3-carboxamide
  • n-[(1r,5s)-8-[(2r)-2-hydroxy-3-(methyl-methylsulfonyl-amino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-yl-quinoline-3-carboxamide
  • n-[(1r,5s)-8-[(2r)-2-hydroxy-3-(methyl-methylsulfonylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-isopropyl-2-oxo-3-quinolinecarboxamide
InChIKey HXLOHDZQBKCUCR-BURNTYAHSA-N
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