(3-methoxy-2-methylphenyl){rel-(1R,6S)-8-[(pyridin-4-yl)methyl]-3,8-diazabicyclo[4.2.0]octan-3-yl}methanone
Chemical Structure Depiction of
(3-methoxy-2-methylphenyl){rel-(1R,6S)-8-[(pyridin-4-yl)methyl]-3,8-diazabicyclo[4.2.0]octan-3-yl}methanone
(3-methoxy-2-methylphenyl){rel-(1R,6S)-8-[(pyridin-4-yl)methyl]-3,8-diazabicyclo[4.2.0]octan-3-yl}methanone
Compound characteristics
| Compound ID: | S616-8336 |
| Compound Name: | (3-methoxy-2-methylphenyl){rel-(1R,6S)-8-[(pyridin-4-yl)methyl]-3,8-diazabicyclo[4.2.0]octan-3-yl}methanone |
| Molecular Weight: | 351.45 |
| Molecular Formula: | C21 H25 N3 O2 |
| Smiles: | Cc1c(cccc1OC)C(N1CC[C@@H]2CN(Cc3ccncc3)[C@@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9642 |
| logD: | 1.408 |
| logSw: | -2.276 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.059 |
| InChI Key: | PCYIRRPGTJWNTK-HKUYNNGSSA-N |