Cep 8983 , CAS No.374071-46-2

CAS: 374071-46-2 Cat. No.: C998507 Formule: C₁₈H₁₄N₂O₃ Poids moléculaire: 306.300

Storage

Room temperature

Spécifications

Conditions de stockage de stockage

Room temperature

Type d'action

INHIBITOR

Noms et identifiants

Sourires canoniques

COC1=CC=CC2=C1C3=C(N2)C4=C(CCC4)C5=C3C(=O)NC5=O

IUPAC Name

14-methoxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione

InChIKey

BWVHYDYUKQEFHG-UHFFFAOYSA-N

INCHI

1S/C18H14N2O3/c1-23-11-7-3-6-10-13(11)14-15-12(17(21)20-18(15)22)8-4-2-5-9(8)16(14)19-10/h3,6-7,19H,2,4-5H2,1H3,(H,20,21,22)

Poids moléculaire

306.300

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolocarbazoles
• Alternative Parents: Phthalimides Indoles Indanes Anisoles Alkyl aryl ethers Pyrroles N-unsubstituted carboxylic acid imides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolocarbazole - Phthalimide - Isoindolone - Indane - Indole - Isoindoline - Isoindole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Carboxylic acid imide - Heteroaromatic compound - Pyrrole - Carboxylic acid imide, n-unsubstituted - Carboxylic acid derivative - Ether - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolocarbazoles. These are compounds containing a pyrrolocarbazole moiety, which is a tetracyclic heterocycle which consists of a pyrrole ring fused to a carbazole.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 306.300 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 306.1 Da
• Monoisotopic Mass: 306.1 Da
• Topological Polar Surface Area: 71.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 550.000
• 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