AC1LYP83
(5Z)-1-[(4-methoxyphenyl)methyl]-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: (5Z)-1-[(4-methoxyphenyl)methyl]-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione|(Z)-1-(4-methoxybenzyl)-5-((5-nitrothiophen-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione|1-(4-Methoxy-benzyl)-5-[1-(5-nitro-thiophen-2-yl)-meth-(Z)-ylidene]-pyrimidine-2,4,6-trione
CAS: 373376-94-4
| Molecular Formula | C17H13N3O6S |
|---|---|
| Molecular Weight | 387.05252 g/mol |
| LogP | 2.3269 |
| Topological Polar Surface Area | 118.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.05252 |
| Monoisotopic Mass | 387.05252 |
| Heavy Atoms | 27 |
| Complexity | 963.3033 |
Chemical Identifiers
| CAS Number | 373376-94-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CC=C(S3)[N+](=O)[O-])/C(=O)NC2=O |
Product Overview
AC1LYP83 (CAS 373376-94-4), with molecular formula C17H13N3O6S and molecular weight 387.05252 g/mol. IUPAC: (5Z)-1-[(4-methoxyphenyl)methyl]-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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