FUB-AKB-48 is a new research chemical compound with a chemical formula of C25H26FN3O, an IUPAC name of N-?((3s,?5s,?7s)-?adamantan-?1-?yl)-?1-?(4-?fluorobenzyl)-?1H-?indazole-?3-?carboxamide and a molecular mass of 403.500.
Research on compound was conducted by ACD/Labs’ and ChemAxon. Properties that were predicted by ACD/Labs showed 4 #H bond acceptors, 6 #Freely rotating bonds, index of refraction of 1.684, a flash point of 297.5±22.6 °C and a boiling point of 568.3±23.0 °C at 760 mmHg.
Properties that were predicted by ChemAxon included a topology analysis, which showed an atom count of 58, bond count of 62, cyclomatic number of 5, chain atom count of 8, chain bond count of 9, asymmetric atom count of 0, and rotatable bond count of 6. Under geometry, the information provided showed deriding energy of 79.11 kcal/mol with a volume of 357.66 Å3, a minimal projection area of 59.93 Å2 and maximum at 109.98 Å2.
Chemical and physical properties of compound include a heavy atom count of 26, topological polar surface area of 46.9, covalently bonded unit count of 1, feature 3D acceptor count of 2, feature 3D donor count of 1, feature 3D hyrdrophobe count of 1, feature 3D ring count of 6, and effective rotor count of 7.2.
FUB-AKB-48 is at this time are classified as research compounds. This means it is not intended for human or animal consumption and should be used in controlled settings for scientific or forensic research studies.