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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)OC)C#N)C3=CC=CO3)C(=O)NC4=CC=CC=C4 |
|---|---|
| IUPAC Name | 5-cyano-4-(furan-2-yl)-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide |
| InChIKey | UDEXJQUOSYONJO-UHFFFAOYSA-N |
| INCHI | 1S/C27H23N3O4S/c1-17-24(26(32)30-19-7-4-3-5-8-19)25(23-9-6-14-34-23)21(15-28)27(29-17)35-16-22(31)18-10-12-20(33-2)13-11-18/h3-14,25,29H,16H2,1-2H3,(H,30,32) |
| Peso molecular | 485.6 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Anilides Anisoles Aryl alkyl ketones Benzoyl derivatives Phenoxy compounds Methoxybenzenes N-arylamides Dihydropyridines Alkyl aryl ethers Heteroaromatic compounds Furans Vinylogous amides Ketene acetals Secondary carboxylic acid amides Amino acids and derivatives Sulfenyl compounds Oxacyclic compounds Dialkylamines Azacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl-phenylketone - Anilide - Anisole - Benzoyl - Phenol ether - N-arylamide - Aryl alkyl ketone - Methoxybenzene - Phenoxy compound - Dihydropyridine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Furan - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Ketene acetal or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Sulfenyl compound - Secondary amine - Nitrile - Carbonitrile - Organopnictogen compound - Organic oxide - Amine - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 485.600 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 485.141 Da |
| Monoisotopic Mass | 485.141 Da |
| Topological Polar Surface Area | 130.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 907.000 |
| 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 |
![5-cyano-4-(furan-2-yl)-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide , CAS No.313704-87-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)