4-(5-chloro-2-methoxyphenyl)-5-[(3,5-difluorophenyl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(5-chloro-2-methoxyphenyl)-5-[(3,5-difluorophenyl)methyl]-4H-1,2,4-triazole-3-thiol
4-(5-chloro-2-methoxyphenyl)-5-[(3,5-difluorophenyl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-9826 |
| Compound Name: | 4-(5-chloro-2-methoxyphenyl)-5-[(3,5-difluorophenyl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 367.8 |
| Molecular Formula: | C16 H12 Cl F2 N3 O S |
| Smiles: | COc1ccc(cc1n1c(Cc2cc(cc(c2)F)F)nnc1S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6578 |
| logD: | 2.3985 |
| logSw: | -3.9669 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.763 |
| InChI Key: | JEIMTEBXFPPKSC-UHFFFAOYSA-N |