rel-(1R,5S)-8-(4-ethylbenzene-1-sulfonyl)-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octane
Chemical Structure Depiction of
rel-(1R,5S)-8-(4-ethylbenzene-1-sulfonyl)-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octane
rel-(1R,5S)-8-(4-ethylbenzene-1-sulfonyl)-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octane
Compound characteristics
| Compound ID: | S253-0707 |
| Compound Name: | rel-(1R,5S)-8-(4-ethylbenzene-1-sulfonyl)-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octane |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C22 H24 N4 O3 S |
| Smiles: | CCc1ccc(cc1)S(N1[C@H]2CC[C@@H]1C[C@H](C2)c1nc(c2ccncc2)no1)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 3.9862 |
| logD: | 3.9861 |
| logSw: | -3.7952 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.209 |
| InChI Key: | GULPCRAKVJSMQT-REPLKXPHSA-N |