1-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-sulfonyl}-4-methylpiperidine
Chemical Structure Depiction of
1-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-sulfonyl}-4-methylpiperidine
1-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-sulfonyl}-4-methylpiperidine
Compound characteristics
| Compound ID: | F987-0298 |
| Compound Name: | 1-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-sulfonyl}-4-methylpiperidine |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C24 H23 N3 O6 S |
| Smiles: | CC1CCN(CC1)S(c1ccc2c(c1)c(C)c(c1nc(c3ccc4c(c3)OCO4)no1)o2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7372 |
| logD: | 5.7372 |
| logSw: | -5.7177 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.996 |
| InChI Key: | JKRGIUKIYLEHKS-UHFFFAOYSA-N |