4-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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: | Y500-8470 |
| Compound Name: | 4-cyclohexyl-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: | 460.62 |
| Molecular Formula: | C20 H28 N8 O S2 |
| Smiles: | Cn1ccc(c2nnc(n2CC2CCCO2)SCc2nnc(n2C2CCCCC2)S)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8006 |
| logD: | 1.7116 |
| logSw: | -2.0759 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.616 |
| InChI Key: | XHXRMYTYMPFMPL-OAHLLOKOSA-N |