1-{2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-sulfonyl}azepane
Chemical Structure Depiction of
1-{2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-sulfonyl}azepane
1-{2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-sulfonyl}azepane
Compound characteristics
| Compound ID: | F987-0271 |
| Compound Name: | 1-{2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-sulfonyl}azepane |
| Molecular Weight: | 471.96 |
| Molecular Formula: | C23 H22 Cl N3 O4 S |
| Smiles: | Cc1c2cc(ccc2oc1c1nc(c2ccccc2[Cl])no1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0046 |
| logD: | 6.0046 |
| logSw: | -6.0113 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.212 |
| InChI Key: | MRKBJABXJRPUKA-UHFFFAOYSA-N |