3-[(4-chlorophenyl)methyl]-6-(5-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-6-(5-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-[(4-chlorophenyl)methyl]-6-(5-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 8020-5631 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-6-(5-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 330.8 |
| Molecular Formula: | C14 H11 Cl N6 S |
| Smiles: | Cc1c(cn[nH]1)c1nn2c(Cc3ccc(cc3)[Cl])nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 2.7312 |
| logD: | 2.7312 |
| logSw: | -3.7006 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.966 |
| InChI Key: | MDFGDOSDEZJSFS-UHFFFAOYSA-N |