4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-(1-methyl-1H-pyrazol-4-yl)-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-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-(1-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-9609 |
| Compound Name: | 4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-(1-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 379.49 |
| Molecular Formula: | C19 H21 N7 S |
| Smiles: | Cc1ccc(Cn2c(C)c(c(C)n2)n2c(c3cnn(C)c3)nnc2S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7927 |
| logD: | -0.6165 |
| logSw: | -1.0435 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.947 |
| InChI Key: | ALCADHDYBHBXLY-UHFFFAOYSA-N |