1-{[6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
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-benzotriazole
1-{[6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Compound characteristics
| Compound ID: | D064-0395 |
| Compound Name: | 1-{[6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C19 H17 N7 O3 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1nn2c(Cn3c4ccccc4nn3)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 1.7932 |
| logD: | 1.7921 |
| logSw: | -2.3651 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 83.373 |
| InChI Key: | IZEROGYDFNFIHN-UHFFFAOYSA-N |