rel-(1R,6S)-3-(2-methylbenzene-1-sulfonyl)-8-[(pyridin-3-yl)methyl]-3,8-diazabicyclo[4.2.0]octane
Chemical Structure Depiction of
rel-(1R,6S)-3-(2-methylbenzene-1-sulfonyl)-8-[(pyridin-3-yl)methyl]-3,8-diazabicyclo[4.2.0]octane
rel-(1R,6S)-3-(2-methylbenzene-1-sulfonyl)-8-[(pyridin-3-yl)methyl]-3,8-diazabicyclo[4.2.0]octane
Compound characteristics
| Compound ID: | S616-0513 |
| Compound Name: | rel-(1R,6S)-3-(2-methylbenzene-1-sulfonyl)-8-[(pyridin-3-yl)methyl]-3,8-diazabicyclo[4.2.0]octane |
| Molecular Weight: | 357.47 |
| Molecular Formula: | C19 H23 N3 O2 S |
| Smiles: | Cc1ccccc1S(N1CC[C@@H]2CN(Cc3cccnc3)[C@@H]2C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8475 |
| logD: | 1.4081 |
| logSw: | -1.6796 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.581 |
| InChI Key: | WGRYLINHHWZRIC-ROUUACIJSA-N |