4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-{3-[(1H-pyrazol-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-{3-[(1H-pyrazol-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-{3-[(1H-pyrazol-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-9597 |
| Compound Name: | 4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-{3-[(1H-pyrazol-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 427.53 |
| Molecular Formula: | C23 H21 N7 S |
| Smiles: | Cc1ccc(Cn2cc(cn2)n2c(c3cccc(Cn4cccn4)c3)nnc2S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.134 |
| logD: | 2.2094 |
| logSw: | -2.7721 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.486 |
| InChI Key: | QRFDKIMSWVNTJI-UHFFFAOYSA-N |