2-(2-methyl-1H-imidazol-1-yl)-1-{rel-(1R,6S)-8-[(pyridin-3-yl)methyl]-3,8-diazabicyclo[4.2.0]octan-3-yl}ethan-1-one
Chemical Structure Depiction of
2-(2-methyl-1H-imidazol-1-yl)-1-{rel-(1R,6S)-8-[(pyridin-3-yl)methyl]-3,8-diazabicyclo[4.2.0]octan-3-yl}ethan-1-one
2-(2-methyl-1H-imidazol-1-yl)-1-{rel-(1R,6S)-8-[(pyridin-3-yl)methyl]-3,8-diazabicyclo[4.2.0]octan-3-yl}ethan-1-one
Compound characteristics
| Compound ID: | S616-8424 |
| Compound Name: | 2-(2-methyl-1H-imidazol-1-yl)-1-{rel-(1R,6S)-8-[(pyridin-3-yl)methyl]-3,8-diazabicyclo[4.2.0]octan-3-yl}ethan-1-one |
| Molecular Weight: | 325.41 |
| Molecular Formula: | C18 H23 N5 O |
| Smiles: | Cc1nccn1CC(N1CC[C@@H]2CN(Cc3cccnc3)[C@@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.32 |
| logD: | -1.706 |
| logSw: | -0.4867 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.549 |
| InChI Key: | GQVRNMJFFBYBOA-IRXDYDNUSA-N |