1-{5-[2-(benzyloxy)-5-bromophenyl]-2-(5-nitrothiophen-2-yl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-[2-(benzyloxy)-5-bromophenyl]-2-(5-nitrothiophen-2-yl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
1-{5-[2-(benzyloxy)-5-bromophenyl]-2-(5-nitrothiophen-2-yl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | G642-1398 |
| Compound Name: | 1-{5-[2-(benzyloxy)-5-bromophenyl]-2-(5-nitrothiophen-2-yl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one |
| Molecular Weight: | 502.34 |
| Molecular Formula: | C21 H16 Br N3 O5 S |
| Smiles: | CC(N1C(c2ccc([N+]([O-])=O)s2)OC(c2cc(ccc2OCc2ccccc2)[Br])=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4517 |
| logD: | 5.4517 |
| logSw: | -5.5036 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.317 |
| InChI Key: | JQWALGXBQQIJRC-OAQYLSRUSA-N |