1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | G731-0053 |
| Compound Name: | 1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 330.45 |
| Molecular Formula: | C17 H22 N4 O S |
| Smiles: | CCC1CCCCN1C(CSc1nnc(c2ccccc2)[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7498 |
| logD: | 1.5581 |
| logSw: | -2.9864 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.513 |
| InChI Key: | OZRXEONHFYXJAG-AWEZNQCLSA-N |