6-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D727-0861 |
| Compound Name: | 6-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C19 H22 N6 O3 S |
| Smiles: | CC(C)Cc1cc(c2nn3c(c4cc(c(c(c4)OC)OC)OC)nnc3s2)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.467 |
| logD: | 3.467 |
| logSw: | -3.7981 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.956 |
| InChI Key: | AHYPTBHDWRIMOE-UHFFFAOYSA-N |