5-{5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
5-{5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8710 |
| Compound Name: | 5-{5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 479.99 |
| Molecular Formula: | C23 H22 Cl N7 O S |
| Smiles: | Cc1ccc(Cn2cc(cn2)n2c(c3ccc(Cn4c(C)c(c(C)n4)[Cl])o3)nnc2S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6066 |
| logD: | 3.1715 |
| logSw: | -3.9927 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.086 |
| InChI Key: | JXXKLBXHJBQICZ-UHFFFAOYSA-N |