3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V012-0331 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 427.9 |
| Molecular Formula: | C22 H16 Cl F2 N3 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccc(cc2)F)nnc1SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 6.5268 |
| logD: | 6.5268 |
| logSw: | -6.4185 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.4116 |
| InChI Key: | WKJJPLWPIJVMAQ-UHFFFAOYSA-N |