4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8712 |
| Compound Name: | 4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 379.49 |
| Molecular Formula: | C19 H21 N7 S |
| Smiles: | Cc1ccc(Cn2cc(cn2)n2c(CCn3cc(C)cn3)nnc2S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.974 |
| logD: | 1.2971 |
| logSw: | -1.555 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.695 |
| InChI Key: | HPCVEHWMCRIZLO-UHFFFAOYSA-N |