5-[({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
5-[({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9956 |
| Compound Name: | 5-[({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C19 H26 N8 O2 S2 |
| Smiles: | Cn1ccc(c2nnc(n2CC2CCCO2)SCc2nnc(n2CC2CCCO2)S)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.2889 |
| logD: | 0.081 |
| logSw: | -1.5697 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.694 |
| InChI Key: | OSYCBAVFTFHHAK-UHFFFAOYSA-N |