5-(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
5-(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8709 |
| Compound Name: | 5-(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)-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(c3c(c(C)nn3C)[Br])nnc2S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3805 |
| logD: | 1.9858 |
| logSw: | -2.0657 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.832 |
| InChI Key: | YUJGVXSPFZUNAB-UHFFFAOYSA-N |