1-{2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-sulfonyl}azepane
Chemical Structure Depiction of
1-{2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-sulfonyl}azepane
1-{2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-sulfonyl}azepane
Compound characteristics
| Compound ID: | F987-0286 |
| Compound Name: | 1-{2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-sulfonyl}azepane |
| Molecular Weight: | 497.57 |
| Molecular Formula: | C25 H27 N3 O6 S |
| Smiles: | Cc1c2cc(ccc2oc1c1nc(c2cc(cc(c2)OC)OC)no1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8055 |
| logD: | 5.8055 |
| logSw: | -5.5536 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.3 |
| InChI Key: | RNBQJIIYAZKBHR-UHFFFAOYSA-N |