3-{3-[(3,4-dimethoxyphenyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1H-indole
Chemical Structure Depiction of
3-{3-[(3,4-dimethoxyphenyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1H-indole
3-{3-[(3,4-dimethoxyphenyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1H-indole
Compound characteristics
| Compound ID: | D727-0778 |
| Compound Name: | 3-{3-[(3,4-dimethoxyphenyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1H-indole |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C20 H17 N5 O2 S |
| Smiles: | COc1ccc(Cc2nnc3n2nc(c2c[nH]c4ccccc24)s3)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.254 |
| logD: | 3.254 |
| logSw: | -3.4025 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.829 |
| InChI Key: | DJSOOLPUFQMWJO-UHFFFAOYSA-N |