2-{5-sulfanyl-4-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazol-3-yl}phenol
Chemical Structure Depiction of
2-{5-sulfanyl-4-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazol-3-yl}phenol
2-{5-sulfanyl-4-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazol-3-yl}phenol
Compound characteristics
| Compound ID: | 8020-1403 |
| Compound Name: | 2-{5-sulfanyl-4-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazol-3-yl}phenol |
| Molecular Weight: | 353.32 |
| Molecular Formula: | C15 H10 F3 N3 O2 S |
| Smiles: | c1ccc(c(c1)c1nnc(n1c1ccc(cc1)OC(F)(F)F)S)O |
| Stereo: | ACHIRAL |
| logP: | 4.5246 |
| logD: | 2.982 |
| logSw: | -3.7684 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.943 |
| InChI Key: | CKVAYFDPBFGHDW-UHFFFAOYSA-N |