4-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-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-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
4-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y503-1147 |
| Compound Name: | 4-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 462.4 |
| Molecular Formula: | C20 H21 Cl2 N7 S |
| Smiles: | Cc1cnn(CCc2nnc(n2c2c(C)nn(Cc3c(cccc3[Cl])[Cl])c2C)S)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.9737 |
| logD: | 0.4584 |
| logSw: | -3.3961 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.869 |
| InChI Key: | UTDIIOSJYGSEOM-UHFFFAOYSA-N |