AC1NSNYY
ethyl (2E)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00778613|AG-690/11665264|SR-01000409264-1|F1502-0057|ethyl (2E)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|(E)-ethyl 2-(4-chlorobenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate|ethyl (2E)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|ethyl (2E)-2-(4-chlorobenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|ethyl 2-(4-chlorobenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|ethyl 2-[(4-chlorophenyl)methylene]-7-methyl-3-oxo-5-(2-thienyl)-4,5-dihydro-1 ,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C21H17ClN2O3S2 |
|---|---|
| Molecular Weight | 444.03693 g/mol |
| LogP | 3.5132 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.03693 |
| Monoisotopic Mass | 444.03693 |
| Heavy Atoms | 29 |
| Complexity | 1268.9207 |
Chemical Identifiers
| CAS Number | 306309-84-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)/C(=C\C4=CC=C(C=C4)Cl)/S2)C |
Product Overview
AC1NSNYY (CAS 306309-84-2), with molecular formula C21H17ClN2O3S2 and molecular weight 444.03693 g/mol. IUPAC: ethyl (2E)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
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