Divin , CAS No.518020-15-0

CAS: 518020-15-0 Cat. No.: D973086 分子式: C₂₂H₂₀N₄O₂ 分子量: 372.400

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

名前と識別子

• カノニカル・スマイル: 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+
• 分子量: 372.400

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 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

参考文献

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]