N-{(2S,3R)-3-Hydroxy-4-[(3-Methylbenzyl)Amino]-1-Phenyl-2-Butanyl}Dibenzo[B,F]Oxepine-10-Carboxamide

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Properties Simple | Detailed

Formula C33H32N2O3
IUPAC Name n-[(1s,2r)-1-benzyl-2-hydroxy-3-(m-tolylmethylamino)propyl]benzo[b][1]benzoxepine-5-carboxamide
Molecular Mass 504.619 g·mol−1
Heat of Formation -113.3 ± 16.7 kJ·mol−1
Dipole Moment 2.04 ± 1.08 D
Volume 628.03 Å 3
Surface Area 510.38 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • dbo
  • n-[(1s,2r)-2-hydroxy-3-[(3-methylphenyl)methylamino]-1-(phenylmethyl)propyl]-6-benzo[b][1]benzoxepinecarboxamide
  • n-[(2s,3r)-3-hydroxy-4-[(3-methylphenyl)methylamino]-1-phenyl-butan-2-yl]benzo[b][1]benzoxepine-6-carboxamide
InChIKey BNWZCXDHHPBQOX-XZWHSSHBSA-N
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