rel-(2R,6R)-3-{3-[4-(2-fluorophenyl)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-(2-fluorophenyl)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-(2-fluorophenyl)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: | C326-0388 |
| Compound Name: | rel-(2R,6R)-3-{3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}-2,8-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 500.57 |
| Molecular Formula: | C29 H29 F N4 O3 |
| Smiles: | Cc1ccc2c(c1)[C@H]1C[C@](C)(N(C(N1)=O)c1cccc(c1)C(N1CCN(CC1)c1ccccc1F)=O)O2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.5373 |
| logD: | 4.5373 |
| logSw: | -4.4041 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.685 |
| InChI Key: | JABYFVYEAXYMQE-UHFFFAOYSA-N |