rel-(2R,6R)-8-bromo-2-methyl-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
rel-(2R,6R)-8-bromo-2-methyl-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
rel-(2R,6R)-8-bromo-2-methyl-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C326-0417 |
| Compound Name: | rel-(2R,6R)-8-bromo-2-methyl-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 547.45 |
| Molecular Formula: | C28 H27 Br N4 O3 |
| Smiles: | C[C@@]12C[C@H](c3cc(ccc3O2)[Br])NC(N1c1cccc(c1)C(N1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.7427 |
| logD: | 4.7427 |
| logSw: | -4.6222 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.985 |
| InChI Key: | PPAJBOXGCKWSOH-UHFFFAOYSA-N |