4-(4-ethoxyphenyl)-5-[({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(4-ethoxyphenyl)-5-[({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4H-1,2,4-triazole-3-thiol
4-(4-ethoxyphenyl)-5-[({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8489 |
| Compound Name: | 4-(4-ethoxyphenyl)-5-[({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 498.63 |
| Molecular Formula: | C22 H26 N8 O2 S2 |
| Smiles: | CCOc1ccc(cc1)n1c(CSc2nnc(c3ccn(C)n3)n2CC2CCCO2)nnc1S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8715 |
| logD: | 0.6122 |
| logSw: | -2.2694 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.906 |
| InChI Key: | WMVXVIPZNCZWTJ-QGZVFWFLSA-N |