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-(3-methylbutyl)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-(3-methylbutyl)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-(3-methylbutyl)benzamide
Compound characteristics
| Compound ID: | C326-0455 |
| 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-(3-methylbutyl)benzamide |
| Molecular Weight: | 472.38 |
| Molecular Formula: | C23 H26 Br N3 O3 |
| Smiles: | CC(C)CCNC(c1cccc(c1)N1C(N[C@@H]2C[C@@]1(C)Oc1ccc(cc12)[Br])=O)=O |
| Stereo: | RELATIVE |
| logP: | 4.8028 |
| logD: | 4.8028 |
| logSw: | -4.5944 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.603 |
| InChI Key: | RZMCCXBCLGYTGN-UHFFFAOYSA-N |