1-{[6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzimidazole
Chemical Structure Depiction of
1-{[6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzimidazole
1-{[6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzimidazole
Compound characteristics
| Compound ID: | D064-0342 |
| Compound Name: | 1-{[6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzimidazole |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C20 H18 N6 O3 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1nn2c(Cn3cnc4ccccc34)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 2.065 |
| logD: | 0.9485 |
| logSw: | -2.5005 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.132 |
| InChI Key: | DGDLMGACXWNGIQ-UHFFFAOYSA-N |