propan-2-yl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
propan-2-yl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate
propan-2-yl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | 8003-4545 |
| Compound Name: | propan-2-yl 4-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 340.42 |
| Molecular Formula: | C13 H16 N4 O3 S2 |
| Smiles: | CC(C)OC(CC(CSc1c(C#N)c(nc(N)n1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7519 |
| logD: | 1.7519 |
| logSw: | -1.889 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.188 |
| InChI Key: | RXIZCTPLWQJTOD-UHFFFAOYSA-N |