4-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
4-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y503-1148 |
| Compound Name: | 4-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 434.35 |
| Molecular Formula: | C18 H17 Cl2 N7 S |
| Smiles: | Cc1c(c(C)n(Cc2c(cccc2[Cl])[Cl])n1)n1c(c2ccnn2C)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.6458 |
| logD: | 0.5322 |
| logSw: | -3.3036 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.788 |
| InChI Key: | MHORIRQVERAYDV-UHFFFAOYSA-N |