4-(1-benzyl-1H-pyrazol-4-yl)-5-[(4-bromo-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(1-benzyl-1H-pyrazol-4-yl)-5-[(4-bromo-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
4-(1-benzyl-1H-pyrazol-4-yl)-5-[(4-bromo-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8766 |
| Compound Name: | 4-(1-benzyl-1H-pyrazol-4-yl)-5-[(4-bromo-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 416.3 |
| Molecular Formula: | C16 H14 Br N7 S |
| Smiles: | C(c1ccccc1)n1cc(cn1)n1c(Cn2cc(cn2)[Br])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.5791 |
| logD: | 0.9022 |
| logSw: | -1.2794 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.717 |
| InChI Key: | WNBHTSOHSRYMAK-UHFFFAOYSA-N |