2-bromo-6-methoxy-4-({[3-sulfanyl-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Chemical Structure Depiction of
2-bromo-6-methoxy-4-({[3-sulfanyl-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
2-bromo-6-methoxy-4-({[3-sulfanyl-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Compound characteristics
| Compound ID: | Y502-8755 |
| Compound Name: | 2-bromo-6-methoxy-4-({[3-sulfanyl-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenol |
| Molecular Weight: | 397.17 |
| Molecular Formula: | C11 H8 Br F3 N4 O2 S |
| Smiles: | COc1cc(/C=N/n2c(C(F)(F)F)nnc2S)cc(c1O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.1217 |
| logD: | 1.3759 |
| logSw: | -1.8271 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.46 |
| InChI Key: | QGCJOGZZTICXPQ-UHFFFAOYSA-N |