ethyl 1-[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]piperidine-3-carboxylate
ethyl 1-[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]piperidine-3-carboxylate
Compound characteristics
| Compound ID: | D490-0483 |
| Compound Name: | ethyl 1-[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]piperidine-3-carboxylate |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C20 H22 N4 O2 S |
| Smiles: | CCOC(C1CCCN(C1)c1c(C#N)c(c2ccccc2)nc(n1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.036 |
| logD: | 4.036 |
| logSw: | -4.0723 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.159 |
| InChI Key: | LAGHZPMUAVFMSU-HNNXBMFYSA-N |