AC1LYY18
(5Z)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione|(Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione|(5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione|(5Z)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C21H19N3O7S |
|---|---|
| Molecular Weight | 457.09436 g/mol |
| LogP | 2.842 |
| Topological Polar Surface Area | 120.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.09436 |
| Monoisotopic Mass | 457.09436 |
| Heavy Atoms | 32 |
| Complexity | 1146.2084 |
Chemical Identifiers
| CAS Number | 348596-49-6 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)N2C(=O)/C(=C\C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)/C(=O)NC2=S |
Product Overview
AC1LYY18 (CAS 348596-49-6), with molecular formula C21H19N3O7S and molecular weight 457.09436 g/mol. IUPAC: (5Z)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
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