5-[1-(4-bromo-1H-pyrazol-1-yl)ethyl]-4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[1-(4-bromo-1H-pyrazol-1-yl)ethyl]-4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
5-[1-(4-bromo-1H-pyrazol-1-yl)ethyl]-4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y503-1837 |
| Compound Name: | 5-[1-(4-bromo-1H-pyrazol-1-yl)ethyl]-4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 472.41 |
| Molecular Formula: | C20 H22 Br N7 S |
| Smiles: | CC(c1nnc(n1c1c(C)nn(Cc2ccc(C)cc2)c1C)S)n1cc(cn1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9341 |
| logD: | 0.4189 |
| logSw: | -2.832 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.719 |
| InChI Key: | BNNQHSRVBTVZQW-HNNXBMFYSA-N |