4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8591 |
| Compound Name: | 4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 365.46 |
| Molecular Formula: | C18 H19 N7 S |
| Smiles: | Cc1ccc(Cn2cc(cn2)n2c(Cn3ccc(C)n3)nnc2S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.2641 |
| logD: | 0.5872 |
| logSw: | -0.7367 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.406 |
| InChI Key: | UBERJLIVMPQVCX-UHFFFAOYSA-N |