ethyl 4-[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]piperazine-1-carboxylate
ethyl 4-[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | D490-0459 |
| Compound Name: | ethyl 4-[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]piperazine-1-carboxylate |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C19 H21 N5 O2 S |
| Smiles: | CCOC(N1CCN(CC1)c1c(C#N)c(c2ccccc2)nc(n1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8702 |
| logD: | 3.8702 |
| logSw: | -4.0507 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.252 |
| InChI Key: | XKMHBLSGAWULKB-UHFFFAOYSA-N |