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-[(4-methylphenyl)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-[(4-methylphenyl)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-[(4-methylphenyl)methyl]benzamide
Compound characteristics
| Compound ID: | C326-0428 |
| 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-[(4-methylphenyl)methyl]benzamide |
| Molecular Weight: | 506.4 |
| Molecular Formula: | C26 H24 Br N3 O3 |
| Smiles: | Cc1ccc(CNC(c2cccc(c2)N2C(N[C@@H]3C[C@@]2(C)Oc2ccc(cc23)[Br])=O)=O)cc1 |
| Stereo: | RELATIVE |
| logP: | 5.1997 |
| logD: | 5.1997 |
| logSw: | -5.1174 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.49 |
| InChI Key: | BSISLNQRRXBZOV-UHFFFAOYSA-N |