ethyl 4-[(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]-3-oxobutanoate
ethyl 4-[(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]-3-oxobutanoate
Compound characteristics
| Compound ID: | 8003-0396 |
| Compound Name: | ethyl 4-[(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]-3-oxobutanoate |
| Molecular Weight: | 320.36 |
| Molecular Formula: | C15 H16 N2 O4 S |
| Smiles: | CCOC(CC(CSc1c(C#N)cc(C(C)=O)c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6454 |
| logD: | 1.6453 |
| logSw: | -2.2114 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.359 |
| InChI Key: | RPADVVUEHSHNTQ-UHFFFAOYSA-N |