3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl-4-(propan-2-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl-4-(propan-2-yl)-4H-1,2,4-triazole
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl-4-(propan-2-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y206-5790 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl-4-(propan-2-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 299.79 |
| Molecular Formula: | C13 H15 Cl F N3 S |
| Smiles: | CC(C)n1c(C)nnc1SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.4064 |
| logD: | 3.4062 |
| logSw: | -3.7298 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 26.3647 |
| InChI Key: | OXSJJXLDRWKQAU-UHFFFAOYSA-N |