3-[5-(benzylsulfanyl)-4-(4-chloro-3-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine
Chemical Structure Depiction of
3-[5-(benzylsulfanyl)-4-(4-chloro-3-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine
3-[5-(benzylsulfanyl)-4-(4-chloro-3-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine
Compound characteristics
| Compound ID: | K822-0112 |
| Compound Name: | 3-[5-(benzylsulfanyl)-4-(4-chloro-3-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine |
| Molecular Weight: | 392.91 |
| Molecular Formula: | C21 H17 Cl N4 S |
| Smiles: | Cc1cc(ccc1[Cl])n1c(c2cccnc2)nnc1SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9762 |
| logD: | 4.972 |
| logSw: | -5.2997 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.23 |
| InChI Key: | SKQPPPMTUAEPMF-UHFFFAOYSA-N |