3-[5-{[(4-bromophenyl)methyl]sulfanyl}-4-(3-chloro-4-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine
Chemical Structure Depiction of
3-[5-{[(4-bromophenyl)methyl]sulfanyl}-4-(3-chloro-4-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine
3-[5-{[(4-bromophenyl)methyl]sulfanyl}-4-(3-chloro-4-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine
Compound characteristics
| Compound ID: | K822-0119 |
| Compound Name: | 3-[5-{[(4-bromophenyl)methyl]sulfanyl}-4-(3-chloro-4-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine |
| Molecular Weight: | 471.8 |
| Molecular Formula: | C21 H16 Br Cl N4 S |
| Smiles: | Cc1ccc(cc1[Cl])n1c(c2cccnc2)nnc1SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.6895 |
| logD: | 5.6853 |
| logSw: | -6.1196 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.23 |
| InChI Key: | BRURPXGKICEUQS-UHFFFAOYSA-N |