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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F |
|---|---|
| IUPAC Name | 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-phenylacetamide |
| InChIKey | RGBAWINZYQCYTK-UHFFFAOYSA-N |
| INCHI | 1S/C17H13F3N2O2S/c18-17(19,20)10-6-7-13-12(8-10)22-16(24)14(25-13)9-15(23)21-11-4-2-1-3-5-11/h1-8,14H,9H2,(H,21,23)(H,22,24) |
| Molecular Weight | 366.4 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazines |
| Alternative Parents | Anilides N-arylamides Alkylarylthioethers 1,4-thiazines Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzothiazine - Anilide - Aryl thioether - N-arylamide - Alkylarylthioether - Para-thiazine - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Thioether - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). |
| External Descriptors | Not available |
| Molecular Weight | 366.400 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 366.065 Da |
| Monoisotopic Mass | 366.065 Da |
| Topological Polar Surface Area | 83.500 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 509.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-phenylacetamide , CAS No.325854-83-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)