3-[rel-(2R,6R)-2,8-dimethyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]-N-(2-phenylethyl)benzamide
Chemical Structure Depiction of
3-[rel-(2R,6R)-2,8-dimethyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]-N-(2-phenylethyl)benzamide
3-[rel-(2R,6R)-2,8-dimethyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]-N-(2-phenylethyl)benzamide
Compound characteristics
| Compound ID: | C326-0361 |
| Compound Name: | 3-[rel-(2R,6R)-2,8-dimethyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]-N-(2-phenylethyl)benzamide |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C27 H27 N3 O3 |
| Smiles: | Cc1ccc2c(c1)[C@H]1C[C@](C)(N(C(N1)=O)c1cccc(c1)C(NCCc1ccccc1)=O)O2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.3259 |
| logD: | 4.3259 |
| logSw: | -4.4626 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.332 |
| InChI Key: | PHDDLFQRNOGUQM-UHFFFAOYSA-N |