AC1NT668
(5E)-1-(3-bromophenyl)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: BAS 01203648|BIM-0048674.P001|(5E)-1-(3-bromophenyl)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione|(5E)-1-(3-bromophenyl)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione|1-(3-bromophenyl)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylene]-2-thioxo-1 ,3-dihydropyrimidine-4,6-dione
| Molecular Formula | C18H12BrClN2O4S |
|---|---|
| Molecular Weight | 465.93896 g/mol |
| LogP | 3.648 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 465.93896 |
| Monoisotopic Mass | 465.93896 |
| Heavy Atoms | 27 |
| Complexity | 1008.8513 |
Chemical Identifiers
| CAS Number | 332148-50-2 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Br)Cl)O |
Product Overview
AC1NT668 (CAS 332148-50-2), with molecular formula C18H12BrClN2O4S and molecular weight 465.93896 g/mol. IUPAC: (5E)-1-(3-bromophenyl)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
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