1-{rel-(3R,4R)-3-methyl-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-{rel-(3R,4R)-3-methyl-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(thiophen-2-yl)ethan-1-one
1-{rel-(3R,4R)-3-methyl-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | P909-3729 |
| Compound Name: | 1-{rel-(3R,4R)-3-methyl-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Smiles: | C[C@@H]1CN(C[C@H]1c1nc(c2ccncc2)no1)C(Cc1cccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8345 |
| logD: | 2.8344 |
| logSw: | -3.1138 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.444 |
| InChI Key: | URLFAAFYFAEZJD-IUODEOHRSA-N |