5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-cyclohexyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-cyclohexyl-4H-1,2,4-triazole-3-thiol
5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-cyclohexyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y501-6734 |
| Compound Name: | 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-cyclohexyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 297.81 |
| Molecular Formula: | C12 H16 Cl N5 S |
| Smiles: | Cn1cc(c(c2nnc(n2C2CCCCC2)S)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.2615 |
| logD: | 2.2242 |
| logSw: | -2.8492 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.646 |
| InChI Key: | XGVAWTQKZKKQJJ-UHFFFAOYSA-N |