4-{[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 4-bromobenzoate
Chemical Structure Depiction of
4-{[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 4-bromobenzoate
4-{[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 4-bromobenzoate
Compound characteristics
| Compound ID: | 6937-0198 |
| Compound Name: | 4-{[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 4-bromobenzoate |
| Molecular Weight: | 459.32 |
| Molecular Formula: | C20 H15 Br N2 O4 S |
| Smiles: | COc1ccccc1c1nnc(o1)SCC#CCOC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8614 |
| logD: | 4.8614 |
| logSw: | -4.7327 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.742 |
| InChI Key: | GBCGTBZYTAVDGE-UHFFFAOYSA-N |