4-({[3-(4-bromophenyl)-1H-pyrazol-4-yl]methylidene}amino)-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-({[3-(4-bromophenyl)-1H-pyrazol-4-yl]methylidene}amino)-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
4-({[3-(4-bromophenyl)-1H-pyrazol-4-yl]methylidene}amino)-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9932 |
| Compound Name: | 4-({[3-(4-bromophenyl)-1H-pyrazol-4-yl]methylidene}amino)-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 399.22 |
| Molecular Formula: | C13 H9 Br F2 N6 S |
| Smiles: | C(\c1c[nH]nc1c1ccc(cc1)[Br])=N/n1c(C(F)F)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.5264 |
| logD: | 1.7806 |
| logSw: | -2.5978 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.54 |
| InChI Key: | BQXQLISURLDGDM-UHFFFAOYSA-N |