1-({6-[(4-bromophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-benzotriazole
Chemical Structure Depiction of
1-({6-[(4-bromophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-benzotriazole
1-({6-[(4-bromophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-benzotriazole
Compound characteristics
| Compound ID: | D064-0405 |
| Compound Name: | 1-({6-[(4-bromophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-benzotriazole |
| Molecular Weight: | 442.29 |
| Molecular Formula: | C17 H12 Br N7 O S |
| Smiles: | C(c1nnc2n1nc(COc1ccc(cc1)[Br])s2)n1c2ccccc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.723 |
| logD: | 2.7219 |
| logSw: | -2.8613 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 68.39 |
| InChI Key: | CAAAEMWEBLMJRD-UHFFFAOYSA-N |