4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl acetate
Chemical Structure Depiction of
4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl acetate
4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl acetate
Compound characteristics
| Compound ID: | 5108-0514 |
| Compound Name: | 4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl acetate |
| Molecular Weight: | 367.22 |
| Molecular Formula: | C14 H11 Br N2 O3 S |
| Smiles: | CC(=O)OCC#CCSc1nnc(c2ccc(cc2)[Br])o1 |
| Stereo: | ACHIRAL |
| logP: | 3.4214 |
| logD: | 3.4214 |
| logSw: | -3.5542 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.485 |
| InChI Key: | ZNABCOOMCSDATD-UHFFFAOYSA-N |