2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-ethylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-ethylpiperidin-1-yl)ethan-1-one
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-ethylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | G731-0196 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-ethylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 364.9 |
| Molecular Formula: | C17 H21 Cl N4 O S |
| Smiles: | CCC1CCCCN1C(CSc1nnc(c2ccccc2[Cl])[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1235 |
| logD: | 1.9318 |
| logSw: | -3.6694 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.513 |
| InChI Key: | FFKUVJQQTGMJNK-LBPRGKRZSA-N |