3-benzyl-6-[(4-chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-benzyl-6-[(4-chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-benzyl-6-[(4-chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 7009-0826 |
| Compound Name: | 3-benzyl-6-[(4-chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 356.83 |
| Molecular Formula: | C17 H13 Cl N4 O S |
| Smiles: | C(c1ccccc1)c1nnc2n1nc(COc1ccc(cc1)[Cl])s2 |
| Stereo: | ACHIRAL |
| logP: | 3.6718 |
| logD: | 3.6718 |
| logSw: | -4.1289 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.692 |
| InChI Key: | XBSADQDUQCYXDQ-UHFFFAOYSA-N |