5-(3,4-dimethoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
5-(3,4-dimethoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8020-1400 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 397.37 |
| Molecular Formula: | C17 H14 F3 N3 O3 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1c1ccc(cc1)OC(F)(F)F)S |
| Stereo: | ACHIRAL |
| logP: | 4.1301 |
| logD: | 2.5875 |
| logSw: | -4.4849 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.655 |
| InChI Key: | CVURJRFLDMZRSM-UHFFFAOYSA-N |