3-[4-(4-chloro-3-methylphenyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]pyridine
Chemical Structure Depiction of
3-[4-(4-chloro-3-methylphenyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]pyridine
3-[4-(4-chloro-3-methylphenyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]pyridine
Compound characteristics
| Compound ID: | K822-0108 |
| Compound Name: | 3-[4-(4-chloro-3-methylphenyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]pyridine |
| Molecular Weight: | 330.84 |
| Molecular Formula: | C16 H15 Cl N4 S |
| Smiles: | CCSc1nnc(c2cccnc2)n1c1ccc(c(C)c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1701 |
| logD: | 4.1659 |
| logSw: | -4.4168 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.502 |
| InChI Key: | JITLKPIFUBUARO-UHFFFAOYSA-N |