1-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl}-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of
1-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl}-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
1-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl}-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | G783-0178 |
| Compound Name: | 1-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl}-3-(3,4-dimethoxyphenyl)prop-2-en-1-one |
| Molecular Weight: | 454.91 |
| Molecular Formula: | C23 H23 Cl N4 O4 |
| Smiles: | COc1ccc(/C=C/C(N2CCN(CC2)c2nc(c3ccc(cc3)[Cl])no2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.279 |
| logD: | 4.279 |
| logSw: | -4.8299 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.629 |
| InChI Key: | XSHRMFCIASPNFG-UHFFFAOYSA-N |