rel-(2R,6R)-3-{3-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl}-2,8-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
rel-(2R,6R)-3-{3-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl}-2,8-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
rel-(2R,6R)-3-{3-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl}-2,8-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C326-0391 |
| Compound Name: | rel-(2R,6R)-3-{3-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl}-2,8-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 517.03 |
| Molecular Formula: | C29 H29 Cl N4 O3 |
| Smiles: | Cc1ccc2c(c1)[C@H]1C[C@](C)(N(C(N1)=O)c1cccc(c1)C(N1CCN(CC1)c1ccc(cc1)[Cl])=O)O2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.075 |
| logD: | 5.075 |
| logSw: | -5.3997 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.985 |
| InChI Key: | QQVKSQBMDBWSMO-UHFFFAOYSA-N |