3-[(4-chlorophenyl)methyl]-6-(1H-pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-6-(1H-pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-[(4-chlorophenyl)methyl]-6-(1H-pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 8020-5496 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-6-(1H-pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 316.77 |
| Molecular Formula: | C13 H9 Cl N6 S |
| Smiles: | C(c1ccc(cc1)[Cl])c1nnc2n1nc(c1cc[nH]n1)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.3884 |
| logD: | 2.3884 |
| logSw: | -3.0587 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.299 |
| InChI Key: | TXYLJJMDSUFBIF-UHFFFAOYSA-N |