rel-(1R,5S)-8-(3-chlorobenzene-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-(3-chlorobenzene-1-sulfonyl)-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octane
rel-(1R,5S)-8-(3-chlorobenzene-1-sulfonyl)-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octane
Compound characteristics
| Compound ID: | S253-1048 |
| Compound Name: | rel-(1R,5S)-8-(3-chlorobenzene-1-sulfonyl)-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octane |
| Molecular Weight: | 430.91 |
| Molecular Formula: | C20 H19 Cl N4 O3 S |
| Smiles: | C1C[C@@H]2C[C@H](C[C@H]1N2S(c1cccc(c1)[Cl])(=O)=O)c1nc(c2ccncc2)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.65 |
| logD: | 3.6499 |
| logSw: | -4.0423 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.209 |
| InChI Key: | YUMJJICUHYUIIY-ACHSLPGTSA-N |