ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(3-fluorophenyl)-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(3-fluorophenyl)-4H-pyran-3-carboxylate
ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(3-fluorophenyl)-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8002-2643 |
| Compound Name: | ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(3-fluorophenyl)-4H-pyran-3-carboxylate |
| Molecular Weight: | 336.75 |
| Molecular Formula: | C16 H14 Cl F N2 O3 |
| Smiles: | CCOC(C1C(C(C#N)=C(N)OC=1C[Cl])c1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4882 |
| logD: | 2.4882 |
| logSw: | -2.91 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.641 |
| InChI Key: | KPJLAQDZLZVPRN-ZDUSSCGKSA-N |