propan-2-yl 4-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate
Chemical Structure Depiction of
propan-2-yl 4-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate
propan-2-yl 4-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate
Compound characteristics
| Compound ID: | 8003-4569 |
| Compound Name: | propan-2-yl 4-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate |
| Molecular Weight: | 320.41 |
| Molecular Formula: | C16 H20 N2 O3 S |
| Smiles: | CC(C)OC(CC(CSc1c(C#N)c(C)c(C)c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8767 |
| logD: | 2.8767 |
| logSw: | -2.9642 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.212 |
| InChI Key: | QHLQHSHKENPABH-UHFFFAOYSA-N |