6-(5-bromofuran-2-yl)-3-[1-methyl-3-(2-methylpropyl)-1H-pyrazol-5-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-(5-bromofuran-2-yl)-3-[1-methyl-3-(2-methylpropyl)-1H-pyrazol-5-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-(5-bromofuran-2-yl)-3-[1-methyl-3-(2-methylpropyl)-1H-pyrazol-5-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 8020-6860 |
| Compound Name: | 6-(5-bromofuran-2-yl)-3-[1-methyl-3-(2-methylpropyl)-1H-pyrazol-5-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 407.29 |
| Molecular Formula: | C15 H15 Br N6 O S |
| Smiles: | CC(C)Cc1cc(c2nnc3n2nc(c2ccc(o2)[Br])s3)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4803 |
| logD: | 3.4803 |
| logSw: | -3.7354 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 56.659 |
| InChI Key: | CJDWPTNMILGXQD-UHFFFAOYSA-N |