AC1NSYB4
ethyl (2Z)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: HMS590H08|BAS 00756131|BIM-0026864.P001|AH-487/11603022|SR-01000411928-1|ETHYL (2Z)-2-[(3-BROMO-4-HYDROXY-5-METHOXYPHENYL)METHYLIDENE]-5-(3,4-DIMETHOXYPHENYL)-7-METHYL-3-OXO-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE|ethyl (2Z)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|ethyl 2-(3-bromo-4-hydroxy-5-methoxybenzylidene)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|(Z)-ethyl 2-(3-bromo-4-hydroxy-5-methoxybenzylidene)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C26H25BrN2O7S |
|---|---|
| Molecular Weight | 588.0566 g/mol |
| LogP | 3.2922 |
| Topological Polar Surface Area | 108.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 588.0566 |
| Monoisotopic Mass | 588.0566 |
| Heavy Atoms | 37 |
| Complexity | 1589.3048 |
Chemical Identifiers
| CAS Number | 313400-95-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)/C(=C/C4=CC(=C(C(=C4)Br)O)OC)/S2)C |
Product Overview
AC1NSYB4 (CAS 313400-95-2), with molecular formula C26H25BrN2O7S and molecular weight 588.0566 g/mol. IUPAC: ethyl (2Z)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
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