1-{5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzene-1-sulfonyl}azepane
Chemical Structure Depiction of
1-{5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzene-1-sulfonyl}azepane
1-{5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzene-1-sulfonyl}azepane
Compound characteristics
| Compound ID: | J057-0744 |
| Compound Name: | 1-{5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzene-1-sulfonyl}azepane |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C22 H25 N3 O4 S |
| Smiles: | Cc1ccc(cc1S(N1CCCCCC1)(=O)=O)c1nnc(c2ccccc2OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.1331 |
| logD: | 4.1331 |
| logSw: | -4.2318 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.155 |
| InChI Key: | NIWXETLHVWHPRX-UHFFFAOYSA-N |