5-[1-(4-bromo-1H-pyrazol-1-yl)propyl]-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[1-(4-bromo-1H-pyrazol-1-yl)propyl]-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
5-[1-(4-bromo-1H-pyrazol-1-yl)propyl]-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-9599 |
| Compound Name: | 5-[1-(4-bromo-1H-pyrazol-1-yl)propyl]-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 458.38 |
| Molecular Formula: | C19 H20 Br N7 S |
| Smiles: | CCC(c1nnc(n1c1cnn(Cc2ccc(C)cc2)c1)S)n1cc(cn1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.375 |
| logD: | 2.6981 |
| logSw: | -3.1727 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.129 |
| InChI Key: | OFPVLWGTSOIFJT-KRWDZBQOSA-N |