1-{[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Chemical Structure Depiction of
1-{[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
1-{[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Compound characteristics
| Compound ID: | D064-0394 |
| Compound Name: | 1-{[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C18 H15 N7 O2 S |
| Smiles: | COc1ccc(cc1OC)c1nn2c(Cn3c4ccccc4nn3)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 1.7597 |
| logD: | 1.7586 |
| logSw: | -2.3296 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 75.656 |
| InChI Key: | RANKGVWAJDCLRT-UHFFFAOYSA-N |