4-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
4-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8604 |
| Compound Name: | 4-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 406.29 |
| Molecular Formula: | C16 H13 Cl2 N7 S |
| Smiles: | Cn1c(ccn1)c1nnc(n1c1cnn(Cc2ccc(cc2[Cl])[Cl])c1)S |
| Stereo: | ACHIRAL |
| logP: | 2.625 |
| logD: | 2.2302 |
| logSw: | -3.2176 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.613 |
| InChI Key: | UJOXCMSETLYUQH-UHFFFAOYSA-N |