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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1CN(CC(O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6 |
|---|---|
| IUPAC Name | 2-(2,6-dimethylmorpholin-4-yl)-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide |
| InChIKey | SCELLOWTHJGVIC-UHFFFAOYSA-N |
| INCHI | 1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35) |
| Peso molecular | 547.700 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzothiopyrans |
| Subclass | 1-benzothiopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thioxanthenes |
| Alternative Parents | Alpha amino acid amides Diarylthioethers N-arylamides Dialkylarylamines Pyranones and derivatives Benzenoids Morpholines Vinylogous amides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Cyclic ketones Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thioxanthene - Alpha-amino acid amide - Diarylthioether - Alpha-amino acid or derivatives - Aryl thioether - N-arylamide - Dialkylarylamine - Pyranone - Oxazinane - Pyran - Benzenoid - Morpholine - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Cyclic ketone - Tertiary amine - Tertiary aliphatic amine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Thioether - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as thioxanthenes. These are organic polycyclic compounds containing a thioxanthene moiety, which is an aromatic tricycle derived from xanthene by replacing the oxygen atom with a sulfur atom. |
| External Descriptors | Not available |
| Peso molecular | 547.700 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 547.214 Da |
| Monoisotopic Mass | 547.214 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 972.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |