2,2'-{1,4-phenylenebis[(2-oxoethane-2,1-diyl)sulfanediyl]}bis(4,6-dimethylpyridine-3-carbonitrile)
Chemical Structure Depiction of
2,2'-{1,4-phenylenebis[(2-oxoethane-2,1-diyl)sulfanediyl]}bis(4,6-dimethylpyridine-3-carbonitrile)
2,2'-{1,4-phenylenebis[(2-oxoethane-2,1-diyl)sulfanediyl]}bis(4,6-dimethylpyridine-3-carbonitrile)
Compound characteristics
| Compound ID: | 8008-7804 |
| Compound Name: | 2,2'-{1,4-phenylenebis[(2-oxoethane-2,1-diyl)sulfanediyl]}bis(4,6-dimethylpyridine-3-carbonitrile) |
| Molecular Weight: | 486.61 |
| Molecular Formula: | C26 H22 N4 O2 S2 |
| Smiles: | Cc1cc(C)nc(c1C#N)SCC(c1ccc(cc1)C(CSc1c(C#N)c(C)cc(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3828 |
| logD: | 4.3828 |
| logSw: | -4.456 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.409 |
| InChI Key: | DGIOTANBXNZAMH-UHFFFAOYSA-N |