Divin , CAS No.518020-15-0

CAS: 518020-15-0 Cat. No.: D973086 Fórmula: C₂₂H₂₀N₄O₂ Peso molecular: 372.400

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Specifications

Condições de armazenamento de armazenamento

Store at -20°C

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Ice chest + Ice pads

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Tipo de ação

INHIBITOR

Nomes e identificadores

• Sorrisos canónicos: CC1=NC2=CC=CC=C2N1CCC(=O)N/N=C/C3=C(C=CC4=CC=CC=C43)O
• IUPAC Name: N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
• InChIKey: SOPYTFSYTUAGFR-OEAKJJBVSA-N
• INCHI: 1S/C22H20N4O2/c1-15-24-19-8-4-5-9-20(19)26(15)13-12-22(28)25-23-14-18-17-7-3-2-6-16(17)10-11-21(18)27/h2-11,14,27H,12-13H2,1H3,(H,25,28)/b23-14+
• Peso molecular: 372.400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: Benzimidazoles 1-hydroxy-2-unsubstituted benzenoids N-substituted imidazoles Heteroaromatic compounds Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-naphthol - Benzimidazole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
• 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

Propriedades químicas e físicas

• Peso molecular: 372.400 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 372.159 Da
• Monoisotopic Mass: 372.159 Da
• Topological Polar Surface Area: 79.500 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 569.000
• 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

Referências

1. Huijun Liang, Xinyu wang, Hongjun Chen.  (2025)  Perovskite nanocrystals@covalent organic framework as nanothermometer for sensitive temperature sensing.  Analytical Methods,      [PMID:40694410] [10.1039/D5AY00891C]