5-(1,5-dimethyl-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-(1,5-dimethyl-1H-pyrazol-3-yl)-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8832 |
| Compound Name: | 5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 365.46 |
| Molecular Formula: | C18 H19 N7 S |
| Smiles: | Cc1ccc(Cn2cc(cn2)n2c(c3cc(C)n(C)n3)nnc2S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9134 |
| logD: | 1.5187 |
| logSw: | -1.4753 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.45 |
| InChI Key: | SMFSCRXHYXCVPL-UHFFFAOYSA-N |