2,2'-[butane-1,4-diylbis(sulfanediyl)]bis(5-acetyl-6-methylpyridine-3-carbonitrile)
Chemical Structure Depiction of
2,2'-[butane-1,4-diylbis(sulfanediyl)]bis(5-acetyl-6-methylpyridine-3-carbonitrile)
2,2'-[butane-1,4-diylbis(sulfanediyl)]bis(5-acetyl-6-methylpyridine-3-carbonitrile)
Compound characteristics
| Compound ID: | 4088-0090 |
| Compound Name: | 2,2'-[butane-1,4-diylbis(sulfanediyl)]bis(5-acetyl-6-methylpyridine-3-carbonitrile) |
| Molecular Weight: | 438.57 |
| Molecular Formula: | C22 H22 N4 O2 S2 |
| Smiles: | CC(c1cc(C#N)c(nc1C)SCCCCSc1c(C#N)cc(C(C)=O)c(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3149 |
| logD: | 4.3149 |
| logSw: | -4.2504 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.381 |
| InChI Key: | CVRHGGCIZRLWRH-UHFFFAOYSA-N |