for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Sonrisas canónicas | CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
|---|---|
| IUPAC Name | 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide |
| InChIKey | YTYSQMSVEWFTEG-UHFFFAOYSA-N |
| INCHI | 1S/C26H23N5O5S2/c1-2-22-28-29-26(37-22)30-38(35,36)18-13-11-17(12-14-18)27-21(32)10-5-15-31-24(33)19-8-3-6-16-7-4-9-20(23(16)19)25(31)34/h3-4,6-9,11-14H,2,5,10,15H2,1H3,(H,27,32)(H,29,30) |
| Peso molecular | 549.600 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Isoquinolines and derivatives |
| Subclass | Isoquinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoquinolones and derivatives |
| Alternative Parents | Naphthalenes Benzenesulfonamides Anilides Benzenesulfonyl compounds N-arylamides Organosulfonamides N-substituted carboxylic acid imides Fatty amides Thiadiazoles Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoquinolone - Benzenesulfonamide - Naphthalene - Benzenesulfonyl group - Anilide - N-arylamide - Monocyclic benzene moiety - Fatty amide - Carboxylic acid imide, n-substituted - Organosulfonic acid amide - Benzenoid - Fatty acyl - Aminosulfonyl compound - Thiadiazole - Sulfonyl - Heteroaromatic compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid imide - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety. |
| External Descriptors | Not available |
| Peso molecular | 549.600 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 9 |
| Exact Mass | 549.114 Da |
| Monoisotopic Mass | 549.114 Da |
| Topological Polar Surface Area | 175.000 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 966.000 |
| 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 |
![4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide , CAS No.325693-85-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)