3-(2H-1,3-benzodioxol-5-yl)-6-[(4-methoxyphenyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-6-[(4-methoxyphenyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(2H-1,3-benzodioxol-5-yl)-6-[(4-methoxyphenyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 8020-0339 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-6-[(4-methoxyphenyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 366.4 |
| Molecular Formula: | C18 H14 N4 O3 S |
| Smiles: | COc1ccc(Cc2nn3c(c4ccc5c(c4)OCO5)nnc3s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5361 |
| logD: | 3.5361 |
| logSw: | -3.742 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.876 |
| InChI Key: | FSSACNGVYFFUKL-UHFFFAOYSA-N |