5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8932 |
| Compound Name: | 5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 498.33 |
| Molecular Formula: | C18 H15 Br F3 N7 S |
| Smiles: | Cc1ccc(Cn2cc(cn2)n2c(c3c(c(C(F)(F)F)n(C)n3)[Br])nnc2S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1288 |
| logD: | 2.7341 |
| logSw: | -2.7956 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.026 |
| InChI Key: | YSCGBAXSDFBADC-UHFFFAOYSA-N |