5-[1-(4-chloro-3,5-dimethyl-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-3,5-dimethyl-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-3,5-dimethyl-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: | Y503-1142 |
| Compound Name: | 5-[1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 427.96 |
| Molecular Formula: | C20 H22 Cl N7 S |
| Smiles: | CC(c1nnc(n1c1cnn(Cc2ccc(C)cc2)c1)S)n1c(C)c(c(C)n1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9203 |
| logD: | 2.2434 |
| logSw: | -3.537 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.605 |
| InChI Key: | YLPQRNKEAFRJPX-HNNXBMFYSA-N |