5-[1-(difluoromethyl)-1H-pyrazol-5-yl]-4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[1-(difluoromethyl)-1H-pyrazol-5-yl]-4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
5-[1-(difluoromethyl)-1H-pyrazol-5-yl]-4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y503-3530 |
| Compound Name: | 5-[1-(difluoromethyl)-1H-pyrazol-5-yl]-4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C19 H19 F2 N7 S |
| Smiles: | Cc1ccc(Cn2c(C)c(c(C)n2)n2c(c3ccnn3C(F)F)nnc2S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1396 |
| logD: | 0.0259 |
| logSw: | -2.0149 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.888 |
| InChI Key: | KCUBWQSMVLBKQC-UHFFFAOYSA-N |