ethyl 4-[(5-cyano[2,3'-bipyridin]-6-yl)sulfanyl]-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[(5-cyano[2,3'-bipyridin]-6-yl)sulfanyl]-3-oxobutanoate
ethyl 4-[(5-cyano[2,3'-bipyridin]-6-yl)sulfanyl]-3-oxobutanoate
Compound characteristics
| Compound ID: | 8002-7109 |
| Compound Name: | ethyl 4-[(5-cyano[2,3'-bipyridin]-6-yl)sulfanyl]-3-oxobutanoate |
| Molecular Weight: | 341.39 |
| Molecular Formula: | C17 H15 N3 O3 S |
| Smiles: | CCOC(CC(CSc1c(C#N)ccc(c2cccnc2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0287 |
| logD: | 1.9641 |
| logSw: | -2.0705 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.202 |
| InChI Key: | GHEYAKOHURIGNL-UHFFFAOYSA-N |