5-[(3,5-difluorophenyl)methyl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(3,5-difluorophenyl)methyl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
5-[(3,5-difluorophenyl)methyl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8020-1418 |
| Compound Name: | 5-[(3,5-difluorophenyl)methyl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 363.38 |
| Molecular Formula: | C17 H15 F2 N3 O2 S |
| Smiles: | COc1ccc(c(c1)n1c(Cc2cc(cc(c2)F)F)nnc1S)OC |
| Stereo: | ACHIRAL |
| logP: | 3.3891 |
| logD: | 2.1298 |
| logSw: | -3.7278 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.307 |
| InChI Key: | QMZVWXYEDBGJDC-UHFFFAOYSA-N |