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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 | CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=CS2)C(=O)NC3=CC=CC=C3 |
|---|---|
| IUPAC Name | 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide |
| InChIKey | OUWZHECTNGZIOY-UHFFFAOYSA-N |
| INCHI | 1S/C20H18N4O2S2/c1-12-17(19(26)24-13-6-3-2-4-7-13)18(15-8-5-9-27-15)14(10-21)20(23-12)28-11-16(22)25/h2-9,18,23H,11H2,1H3,(H2,22,25)(H,24,26) |
| Peso molecular | 410.5 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anilides |
| Alternative Parents | N-arylamides Dihydropyridines Vinylogous amides Heteroaromatic compounds Thiophenes Secondary carboxylic acid amides Primary carboxylic acid amides Ketene acetals Amino acids and derivatives Sulfenyl compounds Nitriles Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Anilide - N-arylamide - Dihydropyridine - Hydropyridine - Thiophene - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Ketene acetal or derivatives - Primary carboxylic acid amide - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Secondary amine - Sulfenyl compound - Carboxylic acid derivative - Secondary aliphatic amine - Carbonitrile - Nitrile - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution. |
| External Descriptors | Not available |
| Peso molecular | 410.500 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 410.087 Da |
| Monoisotopic Mass | 410.087 Da |
| Topological Polar Surface Area | 162.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 747.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
