4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[1-(5-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[1-(5-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[1-(5-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y503-1839 |
| Compound Name: | 4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[1-(5-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 407.54 |
| Molecular Formula: | C21 H25 N7 S |
| Smiles: | CC(c1nnc(n1c1c(C)nn(Cc2ccc(C)cc2)c1C)S)n1c(C)ccn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2124 |
| logD: | -0.3028 |
| logSw: | -2.0217 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.561 |
| InChI Key: | YCFPSDNJIOOQQT-KRWDZBQOSA-N |