1-{4-chloro-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1-sulfonyl}azepane
Chemical Structure Depiction of
1-{4-chloro-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1-sulfonyl}azepane
1-{4-chloro-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1-sulfonyl}azepane
Compound characteristics
| Compound ID: | J057-0771 |
| Compound Name: | 1-{4-chloro-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1-sulfonyl}azepane |
| Molecular Weight: | 447.94 |
| Molecular Formula: | C21 H22 Cl N3 O4 S |
| Smiles: | COc1ccccc1c1nnc(c2cc(ccc2[Cl])S(N2CCCCCC2)(=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.3022 |
| logD: | 4.3022 |
| logSw: | -4.6237 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.155 |
| InChI Key: | AJQHJDITSHCHIQ-UHFFFAOYSA-N |