4-bromo-3-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Chemical Structure Depiction of
4-bromo-3-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
4-bromo-3-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Compound characteristics
| Compound ID: | Y508-9994 |
| Compound Name: | 4-bromo-3-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol |
| Molecular Weight: | 349.15 |
| Molecular Formula: | C10 H7 Br F2 N4 O S |
| Smiles: | C(\c1cc(ccc1[Br])O)=N/n1c(C(F)F)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.8278 |
| logD: | 1.082 |
| logSw: | -1.5801 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.967 |
| InChI Key: | RFOXNHUFKSEBSH-UHFFFAOYSA-N |