5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D465-0256 |
| Compound Name: | 5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 478.93 |
| Molecular Formula: | C25 H23 Cl N4 O4 |
| Smiles: | COc1ccc(/C=C/c2nc(C#N)c(N3CCN(CC3)C(c3ccc(cc3)[Cl])=O)o2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.0868 |
| logD: | 4.0868 |
| logSw: | -4.7999 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.137 |
| InChI Key: | MJLNNAWDYQEXEA-UHFFFAOYSA-N |