N~2~-[(3,5-Difluorophenyl)Acetyl]-N-[(7S)-5-Methyl-6-Oxo-6,7-Dihydro-5H-Dibenzo[B,D]Azepin-7-Yl]-L-Alaninamide

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Properties Simple | Detailed

Formula C26H23F2N3O3
IUPAC Name (2s)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-n-[(7s)-5-methyl-6-oxo-7h-benzo[d][1]benzazepin-7-yl]propanamide
Molecular Mass 463.476 g·mol−1
Heat of Formation -650.4 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 542.28 Å 3
Surface Area 449.59 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[2-(3,5-difluorophenyl)ethanoylamino]-n-[(7s)-5-methyl-6-oxo-7h-benzo[d][1]benzazepin-7-yl]propanamide
  • (2s)-2-[[2-(3,5-difluorophenyl)-1-oxoethyl]amino]-n-[(7s)-5-methyl-6-oxo-7h-benzo[d][1]benzazepin-7-yl]propanamide
  • (2s)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-n-[(7s)-5-methyl-6-oxo-7h-benzo[d][1]benzazepin-7-yl]propanamide
  • (2s)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-n-[(7s)-6-keto-5-methyl-7h-benzo[d][1]benzazepin-7-yl]propionamide
  • (s,s)-2-[2-(3,5-difluorophenyl)acetylamino]-n-(5-methyl-6-oxo-6,7-dihydro-5h-dibenzo[b,d]azepin-7-yl)propionamide
  • dbz
  • dibenzazepine
  • gamma-secretase inhibitor xx
InChIKey QSHGISMANBKLQL-OWJWWREXSA-N
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