1-({6-[(2-chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-benzotriazole
Chemical Structure Depiction of
1-({6-[(2-chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-benzotriazole
1-({6-[(2-chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-benzotriazole
Compound characteristics
Compound ID: | D064-0409 |
Compound Name: | 1-({6-[(2-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(COc1ccccc1[Cl])s2)n1c2ccccc2nn1 |
Stereo: | ACHIRAL |
logP: | 2.2838 |
logD: | 2.2827 |
logSw: | -2.8875 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 68.476 |
InChI Key: | OOIWPNRPTJDKOB-UHFFFAOYSA-N |