1-(4-{4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl}piperazin-1-yl)but-2-yn-1-one
Chemical Structure Depiction of
1-(4-{4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl}piperazin-1-yl)but-2-yn-1-one
1-(4-{4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl}piperazin-1-yl)but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0310 |
| Compound Name: | 1-(4-{4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl}piperazin-1-yl)but-2-yn-1-one |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C22 H26 N4 O5 |
| Smiles: | CC#CC(N1CCN(CC1)C(CCCc1nc(c2ccc(c(c2)OC)OC)no1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1691 |
| logD: | 2.1691 |
| logSw: | -2.5648 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.163 |
| InChI Key: | DBUSTOZECIUSPP-UHFFFAOYSA-N |