| Sonrisas canónicas | C1CCC(=O)N(CC1)C(=O)C2=CC(=CC=C2)C(=O)N3CCCCCC3=O |
|---|---|
| IUPAC Name | 1-[3-(2-oxoazepane-1-carbonyl)benzoyl]azepan-2-one |
| InChIKey | HXZRLUTUNSQNCG-UHFFFAOYSA-N |
| INCHI | 1S/C20H24N2O4/c23-17-10-3-1-5-12-21(17)19(25)15-8-7-9-16(14-15)20(26)22-13-6-2-4-11-18(22)24/h7-9,14H,1-6,10-13H2 |
| Isómeros SMILES | C1CCC(=O)N(CC1)C(=O)C2=CC(=CC=C2)C(=O)N3CCCCCC3=O |
| CAS alternativo | 7381-13-7 |
| Peso molecular | 356.42 |
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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 | Benzoic acids and derivatives |
| Alternative Parents | Caprolactams Benzoyl derivatives Azepanes N-substituted carboxylic acid imides Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzoic acid or derivatives - Benzoyl - Caprolactam - Azepane - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Peso molecular | 356.400 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 356.174 Da |
| Monoisotopic Mass | 356.174 Da |
| Topological Polar Surface Area | 74.800 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 526.000 |
| 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 |
