5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-9593 |
| Compound Name: | 5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-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: | CCn1cc(c(c2nnc(n2c2cnn(Cc3ccc(C)cc3)c2)S)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.6189 |
| logD: | 2.2242 |
| logSw: | -3.0933 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.012 |
| InChI Key: | QMPGREYGRIEFBV-UHFFFAOYSA-N |