2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | G731-0295 |
| Compound Name: | 2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 334.41 |
| Molecular Formula: | C16 H19 F N4 O S |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(c2ccc(cc2)F)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.483 |
| logD: | 1.2913 |
| logSw: | -2.6536 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.866 |
| InChI Key: | WNXQVDYDMDEWGF-UHFFFAOYSA-N |