3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-[(4-methoxyphenyl)methyl]-4-methyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-[(4-methoxyphenyl)methyl]-4-methyl-4H-1,2,4-triazole
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-[(4-methoxyphenyl)methyl]-4-methyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y207-4212 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-[(4-methoxyphenyl)methyl]-4-methyl-4H-1,2,4-triazole |
| Molecular Weight: | 377.87 |
| Molecular Formula: | C18 H17 Cl F N3 O S |
| Smiles: | Cn1c(Cc2ccc(cc2)OC)nnc1SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 4.1813 |
| logD: | 4.1813 |
| logSw: | -4.4601 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.571 |
| InChI Key: | FKDVATBPYYPBIT-UHFFFAOYSA-N |