ethyl 4-{[3-cyano-4,6-di(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{[3-cyano-4,6-di(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
ethyl 4-{[3-cyano-4,6-di(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | 8002-7081 |
| Compound Name: | ethyl 4-{[3-cyano-4,6-di(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C20 H16 N2 O3 S3 |
| Smiles: | CCOC(CC(CSc1c(C#N)c(cc(c2cccs2)n1)c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8606 |
| logD: | 4.8605 |
| logSw: | -4.7134 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.45 |
| InChI Key: | CELJWOBRRCIZCG-UHFFFAOYSA-N |