1-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-sulfonyl}azepane
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}azepane
1-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-sulfonyl}azepane
Compound characteristics
| Compound ID: | F987-0274 |
| Compound Name: | 1-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-sulfonyl}azepane |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C24 H23 N3 O6 S |
| Smiles: | Cc1c2cc(ccc2oc1c1nc(c2ccc3c(c2)OCO3)no1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7591 |
| logD: | 5.7591 |
| logSw: | -5.5868 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.327 |
| InChI Key: | KONSDEOAMFLRRI-UHFFFAOYSA-N |