3-{rel-(1R,6S)-8-[(pyridin-4-yl)methyl]-3,8-diazabicyclo[4.2.0]octane-3-carbonyl}benzonitrile
Chemical Structure Depiction of
3-{rel-(1R,6S)-8-[(pyridin-4-yl)methyl]-3,8-diazabicyclo[4.2.0]octane-3-carbonyl}benzonitrile
3-{rel-(1R,6S)-8-[(pyridin-4-yl)methyl]-3,8-diazabicyclo[4.2.0]octane-3-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | S616-0882 |
| Compound Name: | 3-{rel-(1R,6S)-8-[(pyridin-4-yl)methyl]-3,8-diazabicyclo[4.2.0]octane-3-carbonyl}benzonitrile |
| Molecular Weight: | 332.4 |
| Molecular Formula: | C20 H20 N4 O |
| Smiles: | C1CN(C[C@@H]2[C@H]1CN2Cc1ccncc1)C(c1cccc(C#N)c1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9877 |
| logD: | 0.4316 |
| logSw: | -1.4681 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.485 |
| InChI Key: | JPTOOUPDQPGHRT-OALUTQOASA-N |