3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl-4-phenyl-4H-1,2,4-triazole
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V002-9780 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 333.81 |
| Molecular Formula: | C16 H13 Cl F N3 S |
| Salt: | not_available |
| Smiles: | Cc1nnc(n1c1ccccc1)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.8682 |
| logD: | 3.8682 |
| logSw: | -4.1689 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.7611 |
| InChI Key: | ZIHRVLRWWYRPDA-UHFFFAOYSA-N |