5-[1-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[1-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
5-[1-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-9595 |
| Compound Name: | 5-[1-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 399.9 |
| Molecular Formula: | C18 H18 Cl N7 S |
| Smiles: | CC(c1nnc(n1c1cnn(Cc2ccc(C)cc2)c1)S)n1cc(cn1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5624 |
| logD: | 1.8854 |
| logSw: | -2.9423 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.545 |
| InChI Key: | RHMFGLZGUWCLIS-ZDUSSCGKSA-N |