AC1NT2U9
ethyl (2Z)-2-[[5-(3,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: (2Z)-2-[[5-(3,4-dimethyl-5-nitrophenyl)-2-furyl]methylene]-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester|ethyl (2Z)-2-[[5-(3,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C29H25N3O6S |
|---|---|
| Molecular Weight | 543.1464 g/mol |
| LogP | 4.58334 |
| Topological Polar Surface Area | 116.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 543.1464 |
| Monoisotopic Mass | 543.1464 |
| Heavy Atoms | 39 |
| Complexity | 1828.41 |
Chemical Identifiers
| CAS Number | 5818-99-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)/C(=C/C4=CC=C(O4)C5=CC(=C(C(=C5)C)C)[N+](=O)[O-])/S2)C |
Product Overview
AC1NT2U9 (CAS 5818-99-5), with molecular formula C29H25N3O6S and molecular weight 543.1464 g/mol. IUPAC: ethyl (2Z)-2-[[5-(3,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
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