3-(5-bromothiophen-2-yl)-6-(3-methyl-1-propyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-(5-bromothiophen-2-yl)-6-(3-methyl-1-propyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(5-bromothiophen-2-yl)-6-(3-methyl-1-propyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 8020-5484 |
| Compound Name: | 3-(5-bromothiophen-2-yl)-6-(3-methyl-1-propyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 409.33 |
| Molecular Formula: | C14 H13 Br N6 S2 |
| Smiles: | CCCn1cc(c(C)n1)c1nn2c(c3ccc(s3)[Br])nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5265 |
| logD: | 3.5264 |
| logSw: | -3.68 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 49.848 |
| InChI Key: | XKLITRATRLGAOS-UHFFFAOYSA-N |