4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8837 |
| Compound Name: | 4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 351.43 |
| Molecular Formula: | C17 H17 N7 S |
| Smiles: | Cc1ccc(Cn2cc(cn2)n2c(c3cc(C)[nH]n3)nnc2S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3454 |
| logD: | 1.9507 |
| logSw: | -2.2537 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.531 |
| InChI Key: | ACDFDVZYGZCPQX-UHFFFAOYSA-N |