ethyl 6-amino-5-cyano-2-methyl-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-5-cyano-2-methyl-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate
ethyl 6-amino-5-cyano-2-methyl-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8003-3604 |
| Compound Name: | ethyl 6-amino-5-cyano-2-methyl-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate |
| Molecular Weight: | 330.4 |
| Molecular Formula: | C17 H18 N2 O3 S |
| Smiles: | CCOC(C1C(C(C#N)=C(N)OC=1C)c1ccc(cc1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.839 |
| logD: | 2.839 |
| logSw: | -3.1965 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.446 |
| InChI Key: | REGVRZFJZIFZPM-OAHLLOKOSA-N |