1-{rel-(3R,4R)-3-methyl-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(phenylsulfanyl)ethan-1-one
Chemical Structure Depiction of
1-{rel-(3R,4R)-3-methyl-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(phenylsulfanyl)ethan-1-one
1-{rel-(3R,4R)-3-methyl-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(phenylsulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | P909-5142 |
| Compound Name: | 1-{rel-(3R,4R)-3-methyl-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(phenylsulfanyl)ethan-1-one |
| Molecular Weight: | 380.47 |
| Molecular Formula: | C20 H20 N4 O2 S |
| Smiles: | C[C@H]1CN(C[C@@H]1c1nc(c2cccnc2)no1)C(CSc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2554 |
| logD: | 2.6167 |
| logSw: | -3.4121 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.516 |
| InChI Key: | QZBULRQAEHTWKE-RHSMWYFYSA-N |