4-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
4-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8938 |
| Compound Name: | 4-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 484.37 |
| Molecular Formula: | C20 H15 Cl2 N9 S |
| Smiles: | C(c1ccc(cc1[Cl])[Cl])n1cc(cn1)n1c(Cn2nc(c3ccccc3)nn2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.4198 |
| logD: | 2.7428 |
| logSw: | -3.7137 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.314 |
| InChI Key: | IYTHYDJXAULWAP-UHFFFAOYSA-N |