2-{[5-(4-chlorophenyl)-4-(4-ethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,6-dimethylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-(4-ethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,6-dimethylpiperidin-1-yl)ethan-1-one
2-{[5-(4-chlorophenyl)-4-(4-ethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,6-dimethylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | F019-0305 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-(4-ethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,6-dimethylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 469.05 |
| Molecular Formula: | C25 H29 Cl N4 O S |
| Smiles: | CCc1ccc(cc1)n1c(c2ccc(cc2)[Cl])nnc1SCC(N1C(C)CCCC1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1341 |
| logD: | 6.1341 |
| logSw: | -6.2268 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.329 |
| InChI Key: | CCRBIZSKZBENKO-UHFFFAOYSA-N |