2-[3-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-6-methoxyquinoline
Chemical Structure Depiction of
2-[3-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-6-methoxyquinoline
2-[3-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-6-methoxyquinoline
Compound characteristics
| Compound ID: | 8020-1270 |
| Compound Name: | 2-[3-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-6-methoxyquinoline |
| Molecular Weight: | 403.42 |
| Molecular Formula: | C20 H13 N5 O3 S |
| Smiles: | COc1ccc2c(ccc(c3nn4c(c5ccc6c(c5)OCO6)nnc4s3)n2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1824 |
| logD: | 4.1824 |
| logSw: | -4.4928 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.712 |
| InChI Key: | HXRPRBUOFHTWFF-UHFFFAOYSA-N |