2,8-dimethyl-3-{3-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
2,8-dimethyl-3-{3-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
2,8-dimethyl-3-{3-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C326-0375 |
| Compound Name: | 2,8-dimethyl-3-{3-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 483.57 |
| Molecular Formula: | C28 H29 N5 O3 |
| Smiles: | Cc1ccc2c(c1)C1CC(C)(N(C(N1)=O)c1cccc(c1)C(N1CCN(CC1)c1ccccn1)=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0264 |
| logD: | 4.0175 |
| logSw: | -4.1101 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.497 |
| InChI Key: | BNUPADFFDNFTRH-UHFFFAOYSA-N |