4-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)-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: | Y500-8651 |
| Compound Name: | 4-(2,4-dimethylphenyl)-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: | 482.63 |
| Molecular Formula: | C22 H26 N8 O S2 |
| Smiles: | Cc1ccc(c(C)c1)n1c(CSc2nnc(c3ccn(C)n3)n2CC2CCCO2)nnc1S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5768 |
| logD: | 0.3696 |
| logSw: | -2.6775 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.482 |
| InChI Key: | WQBJFTZBVMLSHO-MRXNPFEDSA-N |