methyl 5-amino-7-(5-bromo-2-fluorophenyl)-2-[(5-bromo-2-fluorophenyl)methylidene]-8-cyano-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
Chemical Structure Depiction of
methyl 5-amino-7-(5-bromo-2-fluorophenyl)-2-[(5-bromo-2-fluorophenyl)methylidene]-8-cyano-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
methyl 5-amino-7-(5-bromo-2-fluorophenyl)-2-[(5-bromo-2-fluorophenyl)methylidene]-8-cyano-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
Compound characteristics
| Compound ID: | 8006-4350 |
| Compound Name: | methyl 5-amino-7-(5-bromo-2-fluorophenyl)-2-[(5-bromo-2-fluorophenyl)methylidene]-8-cyano-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate |
| Molecular Weight: | 609.24 |
| Molecular Formula: | C23 H13 Br2 F2 N3 O3 S |
| Smiles: | COC(C1C(C(C#N)=C2N(C=1N)C(/C(=C/c1cc(ccc1F)[Br])S2)=O)c1cc(ccc1F)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6794 |
| logD: | 5.6794 |
| logSw: | -5.5397 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.52 |
| InChI Key: | FBKXWFAOJJVGJS-SFHVURJKSA-N |