6-benzyl-3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-benzyl-3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-benzyl-3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D064-0058 |
| Compound Name: | 6-benzyl-3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 326.8 |
| Molecular Formula: | C16 H11 Cl N4 S |
| Smiles: | C(c1ccccc1)c1nn2c(c3cccc(c3)[Cl])nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.2941 |
| logD: | 4.2941 |
| logSw: | -4.6236 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 34.217 |
| InChI Key: | WXUVITAYTMYMOR-UHFFFAOYSA-N |