rel-(2R,6R)-3-{3-[4-(3-methoxyphenyl)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-(3-methoxyphenyl)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-(3-methoxyphenyl)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: | C326-0395 |
| Compound Name: | rel-(2R,6R)-3-{3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl}-2,8-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 512.61 |
| Molecular Formula: | C30 H32 N4 O4 |
| Smiles: | Cc1ccc2c(c1)[C@H]1C[C@](C)(N(C(N1)=O)c1cccc(c1)C(N1CCN(CC1)c1cccc(c1)OC)=O)O2 |
| Stereo: | RELATIVE |
| logP: | 4.4667 |
| logD: | 4.4667 |
| logSw: | -4.388 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.529 |
| InChI Key: | YYRJPIRBAKMILZ-UHFFFAOYSA-N |