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Moligand™ Moligand™ 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.
| ALogP | 1 |
|---|
| Sorrisi canonici | CC1=C(OC2=CC=CC=C12)CN(C)C(=O)C=CC3=CC4=C(N=C3)N(C(=O)CC4)COP(=O)(O)O |
|---|---|
| IUPAC Name | [6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl dihydrogen phosphate |
| InChIKey | HFYMDQMXVPJNTH-VQHVLOKHSA-N |
| INCHI | 1S/C23H24N3O7P/c1-15-18-5-3-4-6-19(18)33-20(15)13-25(2)21(27)9-7-16-11-17-8-10-22(28)26(23(17)24-12-16)14-32-34(29,30)31/h3-7,9,11-12H,8,10,13-14H2,1-2H3,(H2,29,30,31)/b9-7+ |
| Isomeri SMILES | CC1=C(OC2=CC=CC=C12)CN(C)C(=O)/C=C/C3=CC4=C(N=C3)N(C(=O)CC4)COP(=O)(O)O |
| CAS alternativo | 1518800-35-5 |
| PubChem CID | 72696796 |
| Termini MeSH | (6-((1E)-3-(Methyl((3-methyl-1-benzofuran-2-yl)methyl)amino)-3-oxo-1-propen-1-yl)-2-oxo-3,4-dihydro-1,8-naphthyridin-1(2H)-yl)methyl dihydrogen phosphate;2-Propenamide, N-methyl-N-((3-methyl-2-benzofuranyl)methyl)-3-(5,6,7,8-tetrahydro-7-oxo-8-((phosphono |
| Peso molecolare | 485.4 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Classe | Diazanaphthalenes |
| Subclass | Naphthyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthyridines |
| Alternative Parents | Benzofurans Monoalkyl phosphates Pyridines and derivatives Imidolactams Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Furans Lactams Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthyridine - Benzofuran - Monoalkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Pyridine - Imidolactam - Benzenoid - Alkyl phosphate - Furan - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom. |
| External Descriptors | Not available |
| Peso molecolare | 485.400 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 485.135 Da |
| Monoisotopic Mass | 485.135 Da |
| Topological Polar Surface Area | 133.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 833.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
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