AC1NXAE4
ethyl (2Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-5-(2-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AM-879/37118003|ethyl (2Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-5-(2-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|ethyl (2Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-5-(2-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|(Z)-ethyl 2-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-5-(2-chlorophenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate|ethyl 2-[(6-bromo(2H-benzo[d]1,3-dioxolen-5-yl))methylene]-5-(2-chlorophenyl)- 7-methyl-3-oxo-4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate|ethyl 2-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-5-(2-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C24H18BrClN2O5S |
|---|---|
| Molecular Weight | 559.98083 g/mol |
| LogP | 3.9429 |
| Topological Polar Surface Area | 79.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 559.98083 |
| Monoisotopic Mass | 559.98083 |
| Heavy Atoms | 34 |
| Complexity | 1541.6105 |
Chemical Identifiers
| CAS Number | 354561-86-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Cl)C(=O)/C(=C/C4=CC5=C(C=C4Br)OCO5)/S2)C |
Product Overview
AC1NXAE4 (CAS 354561-86-7), with molecular formula C24H18BrClN2O5S and molecular weight 559.98083 g/mol. IUPAC: ethyl (2Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-5-(2-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
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