1-({6-[(4-chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-benzotriazole
Chemical Structure Depiction of
1-({6-[(4-chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-benzotriazole
1-({6-[(4-chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-benzotriazole
Compound characteristics
| Compound ID: | D064-0406 |
| Compound Name: | 1-({6-[(4-chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-benzotriazole |
| Molecular Weight: | 397.84 |
| Molecular Formula: | C17 H12 Cl N7 O S |
| Smiles: | C(c1nnc2n1nc(COc1ccc(cc1)[Cl])s2)n1c2ccccc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.4838 |
| logD: | 2.4828 |
| logSw: | -2.9687 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 68.39 |
| InChI Key: | SKTDMNAHUWJVBW-UHFFFAOYSA-N |