4-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
4-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-3444 |
| Compound Name: | 4-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 379.49 |
| Molecular Formula: | C19 H21 N7 S |
| Smiles: | Cc1cnn(CCc2nnc(n2c2cnn(Cc3ccccc3C)c2)S)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.3381 |
| logD: | 1.6611 |
| logSw: | -2.0154 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.695 |
| InChI Key: | WQOZZLLGXZMNIN-UHFFFAOYSA-N |