4-(1-benzyl-1H-pyrazol-4-yl)-5-[(4-bromo-5-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(1-benzyl-1H-pyrazol-4-yl)-5-[(4-bromo-5-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
4-(1-benzyl-1H-pyrazol-4-yl)-5-[(4-bromo-5-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-9819 |
| Compound Name: | 4-(1-benzyl-1H-pyrazol-4-yl)-5-[(4-bromo-5-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 430.33 |
| Molecular Formula: | C17 H16 Br N7 S |
| Smiles: | Cc1c(cnn1Cc1nnc(n1c1cnn(Cc2ccccc2)c1)S)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.6701 |
| logD: | 0.9932 |
| logSw: | -1.0472 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.14 |
| InChI Key: | KUPXRKWIUPAGNK-UHFFFAOYSA-N |