2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D489-0760 |
| Compound Name: | 2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 421.56 |
| Molecular Formula: | C23 H27 N5 O S |
| Smiles: | CN(C)c1cccc(c1)c1nnc(n1c1ccccc1)SCC(N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2447 |
| logD: | 4.2439 |
| logSw: | -4.2402 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.91 |
| InChI Key: | HGCUSQGUGAYNCI-UHFFFAOYSA-N |