AC1LYP29
(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
Also Known As: (5Z)-5-[(5-methylthiophen-2-yl)methylidene]-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione|(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione|(Z)-5-((5-methylthiophen-2-yl)methylene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C17H11F3N2O3S |
|---|---|
| Molecular Weight | 380.04425 g/mol |
| LogP | 3.74172 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 380.04425 |
| Monoisotopic Mass | 380.04425 |
| Heavy Atoms | 26 |
| Complexity | 946.7249 |
Chemical Identifiers
| CAS Number | 373374-53-9 |
|---|---|
| SMILES | CC1=CC=C(S1)/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
AC1LYP29 (CAS 373374-53-9), with molecular formula C17H11F3N2O3S and molecular weight 380.04425 g/mol. IUPAC: (5Z)-5-[(5-methylthiophen-2-yl)methylidene]-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione.
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