ethyl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate
ethyl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | 8002-2627 |
| Compound Name: | ethyl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 326.39 |
| Molecular Formula: | C12 H14 N4 O3 S2 |
| Smiles: | CCOC(CC(CSc1c(C#N)c(nc(N)n1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4248 |
| logD: | 1.4247 |
| logSw: | -1.6654 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.509 |
| InChI Key: | LBKUEWJAXBFDHW-UHFFFAOYSA-N |