ethyl 4-{[6-amino-3,5-dicyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{[6-amino-3,5-dicyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
ethyl 4-{[6-amino-3,5-dicyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | 8003-0351 |
| Compound Name: | ethyl 4-{[6-amino-3,5-dicyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C17 H14 N4 O3 S2 |
| Smiles: | CCOC(CC(CSc1c(C#N)c(c(C#N)c(N)n1)c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2506 |
| logD: | 2.2506 |
| logSw: | -2.5083 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.456 |
| InChI Key: | GRKDVQBGFUSKRG-UHFFFAOYSA-N |