1-({6-[(2-methylphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-benzotriazole
Chemical Structure Depiction of
1-({6-[(2-methylphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-benzotriazole
1-({6-[(2-methylphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-benzotriazole
Compound characteristics
| Compound ID: | D064-0402 |
| Compound Name: | 1-({6-[(2-methylphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-benzotriazole |
| Molecular Weight: | 377.43 |
| Molecular Formula: | C18 H15 N7 O S |
| Smiles: | Cc1ccccc1OCc1nn2c(Cn3c4ccccc4nn3)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 2.3638 |
| logD: | 2.3627 |
| logSw: | -2.4526 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 68.476 |
| InChI Key: | NAQIBTOMQLJEEB-UHFFFAOYSA-N |