4-{1-[(2,4-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5-ethyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{1-[(2,4-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5-ethyl-4H-1,2,4-triazole-3-thiol
4-{1-[(2,4-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5-ethyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y504-9115 |
| Compound Name: | 4-{1-[(2,4-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5-ethyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 382.31 |
| Molecular Formula: | C16 H17 Cl2 N5 S |
| Smiles: | CCc1nnc(n1c1c(C)nn(Cc2ccc(cc2[Cl])[Cl])c1C)S |
| Stereo: | ACHIRAL |
| logP: | 3.3348 |
| logD: | 0.8196 |
| logSw: | -3.5351 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.385 |
| InChI Key: | BJVDAFYDCSCXAV-UHFFFAOYSA-N |