2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-ethyl-5-methylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-ethyl-5-methylpyridine-3-carbonitrile
2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-ethyl-5-methylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8001-8119 |
| Compound Name: | 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-ethyl-5-methylpyridine-3-carbonitrile |
| Molecular Weight: | 276.4 |
| Molecular Formula: | C15 H20 N2 O S |
| Smiles: | CCc1c(C)cc(C#N)c(n1)SCC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9948 |
| logD: | 3.9948 |
| logSw: | -4.1257 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.555 |
| InChI Key: | XGBZVFBGUMOHOY-UHFFFAOYSA-N |