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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1CCCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)N)O |
|---|---|
| IUPAC Name | 2-amino-8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxychromen-4-one |
| InChIKey | ZMHXYKHSAGVCPK-UHFFFAOYSA-N |
| INCHI | 1S/C23H23N3O3S/c24-22-19(23-25-16-7-3-4-8-18(16)30-23)20(28)14-9-10-17(27)15(21(14)29-22)13-26-11-5-1-2-6-12-26/h3-4,7-10,27H,1-2,5-6,11-13,24H2 |
| Peso molecular | 421.5 |
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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 Aralkylamines Phenoxides Azepanes Vinylogous amides Thiazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organooxygen compounds Organopnictogen compounds Primary amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chromone - 1,3-benzothiazole - Azepane - Phenoxide - Pyranone - Aralkylamine - Pyran - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Thiazole - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Amine - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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 | 421.500 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 421.146 Da |
| Monoisotopic Mass | 421.146 Da |
| Topological Polar Surface Area | 117.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 679.000 |
| 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 |
![2-amino-8-(azepan-1-ylmethyl)-3-(benzo[d]thiazol-2-yl)-7-hydroxy-4H-chromen-4-one , CAS No.610759-81-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)