2-{[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-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-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,6-dimethylpiperidin-1-yl)ethan-1-one
2-{[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,6-dimethylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | F019-0276 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,6-dimethylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 471.02 |
| Molecular Formula: | C24 H27 Cl N4 O2 S |
| Smiles: | CC1CCCC(C)N1C(CSc1nnc(c2ccc(cc2)[Cl])n1c1ccc(cc1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1858 |
| logD: | 5.1858 |
| logSw: | -5.7176 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.873 |
| InChI Key: | FNYMECSNMKSOEQ-UHFFFAOYSA-N |