5-[(4-bromobenzene-1-sulfonyl)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-[(4-bromobenzene-1-sulfonyl)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
5-[(4-bromobenzene-1-sulfonyl)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | L106-0347 |
| Compound Name: | 5-[(4-bromobenzene-1-sulfonyl)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 439.28 |
| Molecular Formula: | C17 H15 Br N2 O5 S |
| Smiles: | COc1ccc(cc1OC)c1nc(CS(c2ccc(cc2)[Br])(=O)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.757 |
| logD: | 3.757 |
| logSw: | -4.1292 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.607 |
| InChI Key: | CTXIOJKSOBAGJI-UHFFFAOYSA-N |