rel-(1R,5S)-8-(phenylmethanesulfonyl)-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octane
Chemical Structure Depiction of
rel-(1R,5S)-8-(phenylmethanesulfonyl)-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octane
rel-(1R,5S)-8-(phenylmethanesulfonyl)-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octane
Compound characteristics
| Compound ID: | S253-0635 |
| Compound Name: | rel-(1R,5S)-8-(phenylmethanesulfonyl)-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octane |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C21 H22 N4 O3 S |
| Smiles: | C1C[C@@H]2C[C@H](C[C@H]1N2S(Cc1ccccc1)(=O)=O)c1nc(c2cccnc2)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4718 |
| logD: | 1.8331 |
| logSw: | -2.2148 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.193 |
| InChI Key: | CRGDPMMASGFSDG-REPLKXPHSA-N |