1-(piperidin-1-yl)-2-[(1H-1,2,4-triazol-5-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(piperidin-1-yl)-2-[(1H-1,2,4-triazol-5-yl)sulfanyl]ethan-1-one
1-(piperidin-1-yl)-2-[(1H-1,2,4-triazol-5-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8005-2660 |
| Compound Name: | 1-(piperidin-1-yl)-2-[(1H-1,2,4-triazol-5-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 226.3 |
| Molecular Formula: | C9 H14 N4 O S |
| Smiles: | C1CCN(CC1)C(CSc1ncn[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.002 |
| logD: | -0.3525 |
| logSw: | -1.5762 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.785 |
| InChI Key: | LPBCOZXDWNYSSP-UHFFFAOYSA-N |