6-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 8020-3142 |
| Compound Name: | 6-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 398.49 |
| Molecular Formula: | C19 H22 N6 O2 S |
| Smiles: | CC(C)(C)c1cc(c2nn3c(c4ccc(c(c4)OC)OC)nnc3s2)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.29 |
| logD: | 3.29 |
| logSw: | -3.4558 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.498 |
| InChI Key: | XYYPFGDEGFJFBU-UHFFFAOYSA-N |