4-(1-benzyl-1H-pyrazol-4-yl)-5-[(4-bromo-3,5-dimethyl-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-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
4-(1-benzyl-1H-pyrazol-4-yl)-5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8941 |
| Compound Name: | 4-(1-benzyl-1H-pyrazol-4-yl)-5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 444.35 |
| Molecular Formula: | C18 H18 Br N7 S |
| Smiles: | Cc1c(c(C)n(Cc2nnc(n2c2cnn(Cc3ccccc3)c2)S)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.7688 |
| logD: | 1.0919 |
| logSw: | -1.0993 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.493 |
| InChI Key: | UDRAYIPUOLOHIR-UHFFFAOYSA-N |