1,3,5-Triazine,2-[2-(2-furanyl)ethenyl]-4,6-bis(trichloromethyl)-
Product Information
Molecular Formula
C11H5 Cl6 N3 O
Molecular Weight
407.89
Description
1,3,5-Triazine,2-[2-(2-furanyl)ethenyl]-4,6-bis(trichloromethyl)- is a versatile compound that finds extensive application in the realm of biomedicine. Its exalted efficiency in tackling a multitude of ailments, like cancer and inflammation, cannot be undermined. Possessing a fascinating and distinctive chemical configuration, it imparts immense potential in selectively targeting malignant cells, while concurrently impeding their pernicious proliferation and thwarting metastasis. Moreover, it exerts its influence by skillfully modulating pivotal inflammatory pathways, thus exhibiting notable anti-inflammatory attributes.
Synonyms
2,4-Bis(trichloromethyl)-6-[2-(furan-2-yl)vinyl]-1,3,5-triazine
IUPAC Name
2-[(E)-2-(furan-2-yl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
SMILES
C1=COC(=C1)C=CC2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C11H5Cl6N3O/c12-10(13,14)8-18-7(4-3-6-2-1-5-21-6)19-9(20-8)11(15,16)17/h1-5H/b4-3+
InChI Key
PNDRGJCVJPHPOZ-ONEGZZNKSA-N
Melting Point
142 °C
Purity
98.0%
Appearance
Light orange to Yellow to Green powder to crystal
Computed Properties
XLogP3
4.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
406.853428 g/mol
Monoisotopic Mass
404.856378 g/mol
Topological Polar Surface Area
51.8Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
361
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
