N-benzyl-3-[rel-(2R,6R)-8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]benzamide
Chemical Structure Depiction of
N-benzyl-3-[rel-(2R,6R)-8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]benzamide
N-benzyl-3-[rel-(2R,6R)-8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]benzamide
Compound characteristics
| Compound ID: | C326-0410 |
| Compound Name: | N-benzyl-3-[rel-(2R,6R)-8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]benzamide |
| Molecular Weight: | 492.37 |
| Molecular Formula: | C25 H22 Br N3 O3 |
| Smiles: | C[C@@]12C[C@H](c3cc(ccc3O2)[Br])NC(N1c1cccc(c1)C(NCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.7763 |
| logD: | 4.7763 |
| logSw: | -4.7186 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.49 |
| InChI Key: | CCPVEJARQIGFGY-UHFFFAOYSA-N |