3-{[(3-chlorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-chlorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazole
3-{[(3-chlorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-0530 |
| Compound Name: | 3-{[(3-chlorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 409.91 |
| Molecular Formula: | C22 H17 Cl F N3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)n1c(c2ccc(cc2)F)nnc1SCc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.5418 |
| logD: | 6.5418 |
| logSw: | -6.5268 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.7125 |
| InChI Key: | MLQIBIWCVWHZGH-UHFFFAOYSA-N |