1-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzene-1-sulfonyl}azepane
Chemical Structure Depiction of
1-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzene-1-sulfonyl}azepane
1-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzene-1-sulfonyl}azepane
Compound characteristics
| Compound ID: | J057-0663 |
| Compound Name: | 1-{5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzene-1-sulfonyl}azepane |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C23 H27 N3 O6 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(c2ccc(c(c2)S(N2CCCCCC2)(=O)=O)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.5003 |
| logD: | 3.5003 |
| logSw: | -3.746 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.416 |
| InChI Key: | PTGSSORGYWDCIP-UHFFFAOYSA-N |