4-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-sulfonyl}thiomorpholine
Chemical Structure Depiction of
4-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-sulfonyl}thiomorpholine
4-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-sulfonyl}thiomorpholine
Compound characteristics
| Compound ID: | F987-0102 |
| Compound Name: | 4-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-sulfonyl}thiomorpholine |
| Molecular Weight: | 485.54 |
| Molecular Formula: | C22 H19 N3 O6 S2 |
| Smiles: | Cc1c2cc(ccc2oc1c1nc(c2ccc3c(c2)OCO3)no1)S(N1CCSCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8587 |
| logD: | 4.8587 |
| logSw: | -4.7404 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 88.996 |
| InChI Key: | WGWRQHHUVBCRLA-UHFFFAOYSA-N |