5-acetyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-methylpyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-methylpyridine-3-carbonitrile
5-acetyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-methylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8003-0399 |
| Compound Name: | 5-acetyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-methylpyridine-3-carbonitrile |
| Molecular Weight: | 290.38 |
| Molecular Formula: | C15 H18 N2 O2 S |
| Smiles: | CC(c1cc(C#N)c(nc1C)SCC(C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9753 |
| logD: | 2.9753 |
| logSw: | -3.2097 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.692 |
| InChI Key: | JACKYUMEEKLYDF-UHFFFAOYSA-N |