5-[(4-bromo-5-methyl-1H-pyrazol-1-yl)methyl]-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(4-bromo-5-methyl-1H-pyrazol-1-yl)methyl]-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
5-[(4-bromo-5-methyl-1H-pyrazol-1-yl)methyl]-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8937 |
| Compound Name: | 5-[(4-bromo-5-methyl-1H-pyrazol-1-yl)methyl]-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 444.35 |
| Molecular Formula: | C18 H18 Br N7 S |
| Smiles: | Cc1ccc(Cn2cc(cn2)n2c(Cn3c(C)c(cn3)[Br])nnc2S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0935 |
| logD: | 1.4166 |
| logSw: | -1.7727 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.14 |
| InChI Key: | JCLIZXNVSAWUDN-UHFFFAOYSA-N |