2-{[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
2-{[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8020-7876 |
| Compound Name: | 2-{[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 316.42 |
| Molecular Formula: | C16 H20 N4 O S |
| Smiles: | Cc1ccc(cc1)c1nc(n[nH]1)SCC(N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2947 |
| logD: | 3.2351 |
| logSw: | -3.3925 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.866 |
| InChI Key: | HLYJLPUYTQKWFB-UHFFFAOYSA-N |