5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-(2,4-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-(2,4-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-(2,4-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-6019 |
| Compound Name: | 5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-(2,4-dimethylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 406.35 |
| Molecular Formula: | C17 H20 Br N5 S |
| Smiles: | Cc1ccc(c(C)c1)n1c(CCn2c(C)c(c(C)n2)[Br])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.363 |
| logD: | 1.1558 |
| logSw: | -3.367 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.665 |
| InChI Key: | YLWYQZIYBXMZGO-UHFFFAOYSA-N |