5-[(4-chloro-1H-pyrazol-1-yl)methyl]-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(4-chloro-1H-pyrazol-1-yl)methyl]-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
5-[(4-chloro-1H-pyrazol-1-yl)methyl]-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-9598 |
| Compound Name: | 5-[(4-chloro-1H-pyrazol-1-yl)methyl]-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 385.88 |
| Molecular Formula: | C17 H16 Cl N7 S |
| Smiles: | Cc1ccc(Cn2cc(cn2)n2c(Cn3cc(cn3)[Cl])nnc2S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.8247 |
| logD: | 1.1478 |
| logSw: | -1.8417 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.717 |
| InChI Key: | GROYMNHAKLUUMV-UHFFFAOYSA-N |