4-(1-benzyl-1H-pyrazol-4-yl)-5-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(1-benzyl-1H-pyrazol-4-yl)-5-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
4-(1-benzyl-1H-pyrazol-4-yl)-5-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8940 |
| Compound Name: | 4-(1-benzyl-1H-pyrazol-4-yl)-5-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 447.95 |
| Molecular Formula: | C22 H18 Cl N7 S |
| Smiles: | C(c1ccccc1)n1cc(cn1)n1c(c2ccc(Cn3cc(cn3)[Cl])cc2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.4109 |
| logD: | 2.4863 |
| logSw: | -3.697 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.469 |
| InChI Key: | CWNXZGWIWWUSMJ-UHFFFAOYSA-N |