5-{4-[(3-methylphenoxy)acetyl]piperazin-1-yl}-2-[2-(thiophen-2-yl)ethenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-{4-[(3-methylphenoxy)acetyl]piperazin-1-yl}-2-[2-(thiophen-2-yl)ethenyl]-1,3-oxazole-4-carbonitrile
5-{4-[(3-methylphenoxy)acetyl]piperazin-1-yl}-2-[2-(thiophen-2-yl)ethenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D465-0453 |
| Compound Name: | 5-{4-[(3-methylphenoxy)acetyl]piperazin-1-yl}-2-[2-(thiophen-2-yl)ethenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C23 H22 N4 O3 S |
| Smiles: | Cc1cccc(c1)OCC(N1CCN(CC1)c1c(C#N)nc(/C=C/c2cccs2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5223 |
| logD: | 3.5223 |
| logSw: | -3.6882 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 63.867 |
| InChI Key: | KRJMVYRSKFKUHN-UHFFFAOYSA-N |