4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-(5-methyl-1H-pyrazol-3-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-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y503-1301 |
| Compound Name: | 4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-(5-methyl-1H-pyrazol-3-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(c3cc(C)[nH]n3)nnc2S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5393 |
| logD: | 0.4257 |
| logSw: | -2.5127 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.705 |
| InChI Key: | HVRIIYLDNWSAPS-UHFFFAOYSA-N |