3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{rel-(1R,6S)-8-[(pyridin-3-yl)methyl]-3,8-diazabicyclo[4.2.0]octan-3-yl}propan-1-one
Chemical Structure Depiction of
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{rel-(1R,6S)-8-[(pyridin-3-yl)methyl]-3,8-diazabicyclo[4.2.0]octan-3-yl}propan-1-one
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{rel-(1R,6S)-8-[(pyridin-3-yl)methyl]-3,8-diazabicyclo[4.2.0]octan-3-yl}propan-1-one
Compound characteristics
| Compound ID: | S616-8452 |
| Compound Name: | 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{rel-(1R,6S)-8-[(pyridin-3-yl)methyl]-3,8-diazabicyclo[4.2.0]octan-3-yl}propan-1-one |
| Molecular Weight: | 353.47 |
| Molecular Formula: | C20 H27 N5 O |
| Smiles: | Cc1cc(C)n(CCC(N2CC[C@@H]3CN(Cc4cccnc4)[C@@H]3C2)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1206 |
| logD: | -1.4771 |
| logSw: | -0.6508 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.977 |
| InChI Key: | QELAMBSFMWRIIW-RTBURBONSA-N |