ChemDiv1_020963
ethyl (2Z)-5-amino-6-cyano-7-(4-ethylphenyl)-2-[(4-ethylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Also Known As: ChemDiv1_020963|(Z)-ethyl 5-amino-6-cyano-2-(4-ethylbenzylidene)-7-(4-ethylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate|ethyl (2Z)-5-amino-6-cyano-2-(4-ethylbenzylidene)-7-(4-ethylphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate|ethyl (2Z)-5-amino-6-cyano-7-(4-ethylphenyl)-2-[(4-ethylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
| Molecular Formula | C28H27N3O3S |
|---|---|
| Molecular Weight | 485.1773 g/mol |
| LogP | 3.02548 |
| Topological Polar Surface Area | 98.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.1773 |
| Monoisotopic Mass | 485.1773 |
| Heavy Atoms | 35 |
| Complexity | 1518.4283 |
Chemical Identifiers
| CAS Number | 313381-53-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)/C=C\2/C(=O)N3C(=C(C(C(=C3S2)C(=O)OCC)C4=CC=C(C=C4)CC)C#N)N |
Product Overview
ChemDiv1_020963 (CAS 313381-53-2), with molecular formula C28H27N3O3S and molecular weight 485.1773 g/mol. IUPAC: ethyl (2Z)-5-amino-6-cyano-7-(4-ethylphenyl)-2-[(4-ethylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate.