PF 00277343 , CAS No.332926-04-2

CAS: 332926-04-2 Cat. No.: P1237103 Summenformel: C₂₄H₂₀FN₃O₄ Molekulargewicht: 433.4

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AGONIST

Namen und Kennungen

Kanonisches Lächeln

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)CC3=CC=C(C=C3)F)C)N4C(=O)NC(=O)C=N4

IUPAC Name

2-[4-[3-[(4-fluorophenyl)methyl]-4-hydroxyphenoxy]-3,5-dimethylphenyl]-1,2,4-triazine-3,5-dione

InChIKey

HQXKNHQWCAXRDN-UHFFFAOYSA-N

INCHI

1S/C24H20FN3O4/c1-14-9-19(28-24(31)27-22(30)13-26-28)10-15(2)23(14)32-20-7-8-21(29)17(12-20)11-16-3-5-18(25)6-4-16/h3-10,12-13,29H,11H2,1-2H3,(H,27,30,31)

Molekulargewicht

433.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Diphenylethers Diarylethers m-Xylenes Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids Fluorobenzenes 1,2,4-triazines Aryl fluorides Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - M-xylene - Xylene - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Phenol - 1,2,4-triazine - Triazine - Aryl fluoride - Aryl halide - Heteroaromatic compound - Lactam - Organoheterocyclic compound - Azacycle - Ether - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 433.400 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 433.144 Da
• Monoisotopic Mass: 433.144 Da
• Topological Polar Surface Area: 91.200 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 699.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

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This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 332926-04-2, the molecular formula is C24H20FN3O4, and the molecular weight is 433.4 g/mol. InChIKey HQXKNHQWCAXRDN-UHFFFAOYSA-N.

What documentation is provided?

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