2-(2H-1,3-benzodioxol-5-yl)-1-(4-{3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-1-(4-{3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}piperidin-1-yl)ethan-1-one
2-(2H-1,3-benzodioxol-5-yl)-1-(4-{3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D203-0012 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-1-(4-{3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 524.6 |
| Molecular Formula: | C26 H28 N4 O6 S |
| Smiles: | C1CCN(C1)S(c1ccc(cc1)c1nc(C2CCN(CC2)C(Cc2ccc3c(c2)OCO3)=O)on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0854 |
| logD: | 4.0854 |
| logSw: | -4.3182 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.957 |
| InChI Key: | SODOLQUZYMXMQV-UHFFFAOYSA-N |