5-[(4-chloro-1H-pyrazol-1-yl)methyl]-4-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(4-chloro-1H-pyrazol-1-yl)methyl]-4-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
5-[(4-chloro-1H-pyrazol-1-yl)methyl]-4-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8606 |
| Compound Name: | 5-[(4-chloro-1H-pyrazol-1-yl)methyl]-4-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 440.74 |
| Molecular Formula: | C16 H12 Cl3 N7 S |
| Smiles: | C(c1ccc(cc1[Cl])[Cl])n1cc(cn1)n1c(Cn2cc(cn2)[Cl])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.8036 |
| logD: | 2.1266 |
| logSw: | -3.2924 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.717 |
| InChI Key: | ATQXITXMCWZENK-UHFFFAOYSA-N |