for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | COC1=CC=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC=C(C=C4)N5C(=O)CCC5=O |
|---|---|
| IUPAC Name | 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide |
| InChIKey | SWYRPMKZMBENEA-UHFFFAOYSA-N |
| INCHI | 1S/C23H20N4O4S/c1-31-17-8-6-16(7-9-17)27-22(18-12-32-13-19(18)25-27)24-23(30)14-2-4-15(5-3-14)26-20(28)10-11-21(26)29/h2-9H,10-13H2,1H3,(H,24,30) |
| Peso molecular | 448.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acylaminobenzoic acid and derivatives |
| Alternative Parents | Phenylpyrazoles Phenylpyrrolidines Benzamides Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers N-substituted carboxylic acid imides Pyrrolidine-2-ones Heteroaromatic compounds Dicarboximides Pyrroles Secondary carboxylic acid amides Lactams Azacyclic compounds Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Acylaminobenzoic acid or derivatives - Phenylpyrazole - 1-phenylpyrrolidine - Benzamide - Methoxyaniline - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Azole - Carboxylic acid imide - Dicarboximide - Heteroaromatic compound - Pyrazole - Pyrrole - Pyrrolidine - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Thioether - Dialkylthioether - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated. |
| External Descriptors | Not available |
| Peso molecular | 448.500 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 448.121 Da |
| Monoisotopic Mass | 448.121 Da |
| Topological Polar Surface Area | 119.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 720.000 |
| 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-(2,5-dioxo-1-pyrrolidinyl)-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide , CAS No.361477-29-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)