3-(2-methylfuran-3-yl)-6-{2-[4-(propan-2-yl)phenyl]ethenyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-(2-methylfuran-3-yl)-6-{2-[4-(propan-2-yl)phenyl]ethenyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(2-methylfuran-3-yl)-6-{2-[4-(propan-2-yl)phenyl]ethenyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D181-0063 |
| Compound Name: | 3-(2-methylfuran-3-yl)-6-{2-[4-(propan-2-yl)phenyl]ethenyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 350.44 |
| Molecular Formula: | C19 H18 N4 O S |
| Smiles: | CC(C)c1ccc(/C=C/c2nn3c(c4ccoc4C)nnc3s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5175 |
| logD: | 4.5175 |
| logSw: | -4.405 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.45 |
| InChI Key: | OBYKMVKRTFEPOG-UHFFFAOYSA-N |