ethyl 4-[(5-cyano-4-methyl[2,3'-bipyridin]-6-yl)sulfanyl]-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[(5-cyano-4-methyl[2,3'-bipyridin]-6-yl)sulfanyl]-3-oxobutanoate
ethyl 4-[(5-cyano-4-methyl[2,3'-bipyridin]-6-yl)sulfanyl]-3-oxobutanoate
Compound characteristics
| Compound ID: | 8007-0208 |
| Compound Name: | ethyl 4-[(5-cyano-4-methyl[2,3'-bipyridin]-6-yl)sulfanyl]-3-oxobutanoate |
| Molecular Weight: | 355.41 |
| Molecular Formula: | C18 H17 N3 O3 S |
| Smiles: | CCOC(CC(CSc1c(C#N)c(C)cc(c2cccnc2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4624 |
| logD: | 2.1838 |
| logSw: | -2.178 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.202 |
| InChI Key: | ZGGPHJFSKBYSSY-UHFFFAOYSA-N |