5-[1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]-4-(2,5-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]-4-(2,5-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
5-[1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]-4-(2,5-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5675 |
| Compound Name: | 5-[1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]-4-(2,5-dimethylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 420.37 |
| Molecular Formula: | C18 H22 Br N5 S |
| Smiles: | CC(Cn1c(C)c(c(C)n1)[Br])c1nnc(n1c1cc(C)ccc1C)S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8188 |
| logD: | 1.6117 |
| logSw: | -4.0315 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.71 |
| InChI Key: | DWRBYNFLOQQTSN-LBPRGKRZSA-N |