5-[1-(4-bromo-1H-pyrazol-1-yl)propan-2-yl]-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)propan-2-yl]-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)propan-2-yl]-4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y503-3689 |
| Compound Name: | 5-[1-(4-bromo-1H-pyrazol-1-yl)propan-2-yl]-4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 486.44 |
| Molecular Formula: | C21 H24 Br N7 S |
| Smiles: | CC(Cn1cc(cn1)[Br])c1nnc(n1c1c(C)nn(Cc2ccc(C)cc2)c1C)S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1384 |
| logD: | 0.6232 |
| logSw: | -2.8082 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.915 |
| InChI Key: | FVRQJNCLNLQVQJ-AWEZNQCLSA-N |