5-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
5-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y503-1835 |
| Compound Name: | 5-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C21 H23 F2 N7 S |
| Smiles: | Cc1ccc(Cn2c(C)c(c(C)n2)n2c(Cn3c(C)cc(C(F)F)n3)nnc2S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.8369 |
| logD: | -0.6783 |
| logSw: | -1.3554 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.314 |
| InChI Key: | MGOHFLFFARGSDN-UHFFFAOYSA-N |