2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8009-6506 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 412.94 |
| Molecular Formula: | C21 H21 Cl N4 O S |
| Smiles: | C1CCN(CC1)C(CSc1nnc(c2ccc(cc2)[Cl])n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5236 |
| logD: | 4.5236 |
| logSw: | -4.7902 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.105 |
| InChI Key: | RQTRQAQRWSZLTO-UHFFFAOYSA-N |