6-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 8020-3238 |
| Compound Name: | 6-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 352.46 |
| Molecular Formula: | C18 H20 N6 S |
| Smiles: | CC(C)c1nnc2n1nc(Cc1c(C)nn(c3ccccc3)c1C)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.0738 |
| logD: | 3.0735 |
| logSw: | -3.0727 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 48.906 |
| InChI Key: | LAEJOHYVFNLAHA-UHFFFAOYSA-N |