4-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol
Chemical Structure Depiction of
4-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol
4-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol
Compound characteristics
| Compound ID: | D139-0149 |
| Compound Name: | 4-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-ol |
| Molecular Weight: | 336.36 |
| Molecular Formula: | C15 H16 N2 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1nnc(o1)SCC#CCO |
| Stereo: | ACHIRAL |
| logP: | 1.5082 |
| logD: | 1.5082 |
| logSw: | -1.8321 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.969 |
| InChI Key: | RZDBUSCVIKBRFQ-UHFFFAOYSA-N |