ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate
ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 3132-1582 |
| Compound Name: | ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate |
| Molecular Weight: | 364.85 |
| Molecular Formula: | C17 H17 Cl N2 O3 S |
| Smiles: | CCOC(C1C(C(C#N)=C(N)OC=1C[Cl])c1ccc(cc1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1293 |
| logD: | 3.1293 |
| logSw: | -3.4461 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.641 |
| InChI Key: | GTBROTLCZOAFTK-AWEZNQCLSA-N |