4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[1-(3-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[1-(3-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[1-(3-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-9596 |
| Compound Name: | 4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[1-(3-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 379.49 |
| Molecular Formula: | C19 H21 N7 S |
| Smiles: | CC(c1nnc(n1c1cnn(Cc2ccc(C)cc2)c1)S)n1ccc(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0018 |
| logD: | 1.3249 |
| logSw: | -1.3505 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.234 |
| InChI Key: | BOHALHNJHPTTQQ-HNNXBMFYSA-N |