N-[2,5-dioxo-6-(4-phenoxyphenyl)-3-pyrano[3,2-c]pyridinyl]benzamide , CAS No.341966-27-6

CAS: 341966-27-6 Cat. No.: N945730 Peso molecular: 450.400

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=CN(C3=O)C4=CC=C(C=C4)OC5=CC=CC=C5)OC2=O
• IUPAC Name: N-[2,5-dioxo-6-(4-phenoxyphenyl)pyrano[3,2-c]pyridin-3-yl]benzamide
• InChIKey: URWMMFHJPBNEJU-UHFFFAOYSA-N
• INCHI: 1S/C27H18N2O5/c30-25(18-7-3-1-4-8-18)28-23-17-22-24(34-27(23)32)15-16-29(26(22)31)19-11-13-21(14-12-19)33-20-9-5-2-6-10-20/h1-17H,(H,28,30)
• Peso molecular: 450.400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Pyranopyridines Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Pyridinones Pyranones and derivatives Heteroaromatic compounds Lactones Lactams Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diphenylether - Diaryl ether - Pyranopyridine - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Pyranone - Pyridinone - Pyran - Pyridine - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactam - Lactone - Ether - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 450.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 450.122 Da
• Monoisotopic Mass: 450.122 Da
• Topological Polar Surface Area: 84.900 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 900.000
• 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