3-[3-(azepane-1-carbonyl)phenyl]-8-bromo-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
3-[3-(azepane-1-carbonyl)phenyl]-8-bromo-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
3-[3-(azepane-1-carbonyl)phenyl]-8-bromo-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C201-0093 |
| Compound Name: | 3-[3-(azepane-1-carbonyl)phenyl]-8-bromo-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 484.39 |
| Molecular Formula: | C24 H26 Br N3 O3 |
| Smiles: | CC12CC(c3cc(ccc3O2)[Br])NC(N1c1cccc(c1)C(N1CCCCCC1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6033 |
| logD: | 4.6033 |
| logSw: | -4.4362 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.056 |
| InChI Key: | ZECPEJJGUZBKEL-UHFFFAOYSA-N |