1-({6-[(4-tert-butylphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-benzimidazole
Chemical Structure Depiction of
1-({6-[(4-tert-butylphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-benzimidazole
1-({6-[(4-tert-butylphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-benzimidazole
Compound characteristics
| Compound ID: | D064-0449 |
| Compound Name: | 1-({6-[(4-tert-butylphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-benzimidazole |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C22 H22 N6 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCc1nn2c(Cn3cnc4ccccc34)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.9554 |
| logD: | 2.8389 |
| logSw: | -3.9852 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.148 |
| InChI Key: | UPEHBJAKNFYNJM-UHFFFAOYSA-N |