N-(4-acetylphenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide
N-(4-acetylphenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y600-3336 |
| Compound Name: | N-(4-acetylphenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide |
| Molecular Weight: | 341.43 |
| Molecular Formula: | C17 H19 N5 O S |
| Smiles: | CC(c1ccc(cc1)NC(N1CCN(CC1)c1ncccn1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5681 |
| logD: | 2.568 |
| logSw: | -2.8606 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.586 |
| InChI Key: | TWYVGHNNFMNSGW-UHFFFAOYSA-N |