3-[rel-(2R,6R)-8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]-N-[(pyridin-3-yl)methyl]benzamide
Chemical Structure Depiction of
3-[rel-(2R,6R)-8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]-N-[(pyridin-3-yl)methyl]benzamide
3-[rel-(2R,6R)-8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]-N-[(pyridin-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | C326-0409 |
| Compound Name: | 3-[rel-(2R,6R)-8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]-N-[(pyridin-3-yl)methyl]benzamide |
| Molecular Weight: | 493.36 |
| Molecular Formula: | C24 H21 Br N4 O3 |
| Smiles: | C[C@@]12C[C@H](c3cc(ccc3O2)[Br])NC(N1c1cccc(c1)C(NCc1cccnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5486 |
| logD: | 3.5485 |
| logSw: | -3.5259 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.008 |
| InChI Key: | JWBSQFMYAPEODF-UHFFFAOYSA-N |