ethyl 5-amino-6-cyano-3-oxo-7-[2-(trifluoromethyl)phenyl]-2-{[2-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Chemical Structure Depiction of
ethyl 5-amino-6-cyano-3-oxo-7-[2-(trifluoromethyl)phenyl]-2-{[2-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
ethyl 5-amino-6-cyano-3-oxo-7-[2-(trifluoromethyl)phenyl]-2-{[2-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Compound characteristics
| Compound ID: | 8008-1748 |
| Compound Name: | ethyl 5-amino-6-cyano-3-oxo-7-[2-(trifluoromethyl)phenyl]-2-{[2-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate |
| Molecular Weight: | 565.49 |
| Molecular Formula: | C26 H17 F6 N3 O3 S |
| Smiles: | CCOC(C1C(C(C#N)=C(N)N2C=1SC(=C\c1ccccc1C(F)(F)F)\C2=O)c1ccccc1C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7937 |
| logD: | 5.7937 |
| logSw: | -5.5896 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.1 |
| InChI Key: | MRBSHWSPUNLABU-IBGZPJMESA-N |