ethyl 4-[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]piperazine-1-carboxylate
ethyl 4-[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | D490-0088 |
| Compound Name: | ethyl 4-[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]piperazine-1-carboxylate |
| Molecular Weight: | 439.58 |
| Molecular Formula: | C23 H29 N5 O2 S |
| Smiles: | CCOC(N1CCN(CC1)c1c(C#N)c(c2ccc(cc2)C(C)(C)C)nc(n1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7697 |
| logD: | 5.7697 |
| logSw: | -5.5866 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.252 |
| InChI Key: | PYNKOQOQXFJBRZ-UHFFFAOYSA-N |