N-[(2S)-4-Methyl-1-{[(4S,7S)-7-Methyl-3-Oxo-1-(2-Pyridinylsulfonyl)-4-Azepanyl]Amino}-1-Oxo-2-Pentanyl]-1-Benzofuran-2-Carboxamide

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Properties Simple | Detailed

Formula C27H32N4O6S
IUPAC Name n-[(1s)-3-methyl-1-[[(1r,4s,7s)-7-methyl-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]butyl]benzofuran-2-carboxamide
Molecular Mass 540.631 g·mol−1
Heat of Formation -769.0 ± 16.7 kJ·mol−1
Dipole Moment 4.74 ± 1.08 D
Volume 641.31 Å 3
Surface Area 470.55 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s)-3-methyl-1-[[(4s,7s)-7-methyl-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]butyl]benzofuran-2-carboxamide
  • n-[(2s)-4-methyl-1-[[(4s,7s)-7-methyl-3-oxo-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]-1-oxo-pentan-2-yl]-1-benzofuran-2-carboxamide
InChIKey BWYBBMQLUKXECQ-JBACZVJFSA-N
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