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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)C)O |
|---|---|
| IUPAC Name | 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[(4-methylpiperidin-1-yl)methyl]chromen-4-one |
| InChIKey | FUTJYHVXSCCQDJ-UHFFFAOYSA-N |
| INCHI | 1S/C24H24N2O3S/c1-14-9-11-26(12-10-14)13-17-19(27)8-7-16-22(28)21(15(2)29-23(16)17)24-25-18-5-3-4-6-20(18)30-24/h3-8,14,27H,9-13H2,1-2H3 |
| Peso molecular | 420.5 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chromones |
| Alternative Parents | Benzothiazoles Pyranones and derivatives Phenoxides Aralkylamines Piperidines Thiazoles Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organooxygen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chromone - 1,3-benzothiazole - Phenoxide - Pyranone - Aralkylamine - Piperidine - Pyran - Benzenoid - Azole - Heteroaromatic compound - Quaternary ammonium salt - Thiazole - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety. |
| External Descriptors | Not available |
| Peso molecular | 420.500 g/mol |
|---|---|
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 420.151 Da |
| Monoisotopic Mass | 420.151 Da |
| Topological Polar Surface Area | 90.900 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 690.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[(4-methylpiperidin-1-yl)methyl]-4H-chromen-4-one , CAS No.308297-84-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)