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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1OC2=C(O1)C=C(C=C2)C3C(C(NC(=O)N3)(C(F)(F)F)O)C(=O)C4=CC=CC=C4 |
|---|---|
| IUPAC Name | 6-(1,3-benzodioxol-5-yl)-5-benzoyl-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one |
| InChIKey | QVGNNPYQHRKFLA-UHFFFAOYSA-N |
| INCHI | 1S/C19H15F3N2O5/c20-19(21,22)18(27)14(16(25)10-4-2-1-3-5-10)15(23-17(26)24-18)11-6-7-12-13(8-11)29-9-28-12/h1-8,14-15,27H,9H2,(H2,23,24,26) |
| Molecular Weight | 408.3 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Benzodioxoles Aryl alkyl ketones Benzoyl derivatives Pyrimidones Diazinanes Ureas Fluorohydrins Acetals Alkanolamines Oxacyclic compounds Azacyclic compounds Alkyl fluorides Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alkyl-phenylketone - Benzodioxole - Benzoyl - Aryl alkyl ketone - Pyrimidone - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Pyrimidine - Fluorohydrin - Halohydrin - Carbonic acid derivative - Urea - Acetal - Alkanolamine - Oxacycle - Azacycle - Organoheterocyclic compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 408.300 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 408.093 Da |
| Monoisotopic Mass | 408.093 Da |
| Topological Polar Surface Area | 96.900 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 654.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![6-(benzo[d][1,3]dioxol-5-yl)-5-benzoyl-4-hydroxy-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one , CAS No.374563-60-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)