4-(1-benzyl-1H-pyrazol-4-yl)-5-[1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(1-benzyl-1H-pyrazol-4-yl)-5-[1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]-4H-1,2,4-triazole-3-thiol
4-(1-benzyl-1H-pyrazol-4-yl)-5-[1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-9804 |
| Compound Name: | 4-(1-benzyl-1H-pyrazol-4-yl)-5-[1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 427.96 |
| Molecular Formula: | C20 H22 Cl N7 S |
| Smiles: | CC(Cn1c(C)c(c(C)n1)[Cl])c1nnc(n1c1cnn(Cc2ccccc2)c1)S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6616 |
| logD: | 1.9846 |
| logSw: | -3.5483 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.517 |
| InChI Key: | NEDHQILEZDXGBI-ZDUSSCGKSA-N |