6-[1-(4-bromo-3-methyl-1H-pyrazol-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[1-(4-bromo-3-methyl-1H-pyrazol-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[1-(4-bromo-3-methyl-1H-pyrazol-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 8020-3139 |
| Compound Name: | 6-[1-(4-bromo-3-methyl-1H-pyrazol-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 449.33 |
| Molecular Formula: | C17 H17 Br N6 O2 S |
| Smiles: | CC(c1nn2c(c3ccc(c(c3)OC)OC)nnc2s1)n1cc(c(C)n1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5784 |
| logD: | 2.5784 |
| logSw: | -2.5615 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 63.917 |
| InChI Key: | RLIRBPYNAWCPAQ-JTQLQIEISA-N |