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SDB-005 is a new chemical compound that is an indazole analog of PB-22. The chemical formula is C23H22N2O2. The IUPAC name is naphthalen-?1-?yl 1-?pentyl-?1H-?indazole-?3-?carboxylate and it has a molecular mass of 358.400.
Research on similar compound was conducted by ACD/Labs’ and ChemAxon. Properties that were predicted by ACD/Labs showed 4 #H bond acceptors, 7 #Freely rotating bonds, index of refraction of 1.617, a flash point of 290.5±23.2 °C and a boiling point of 556.8±25.0 °C at 760 mmHg.
Properties that were predicted by ChemAxon included a topology analysis, which showed an atom count of 49, bond count of 52, cyclomatic number of 4, chain atom count of 8, chain bond count of 9, asymmetric atom count of 0, and rotatable bond count of 7. Under geometry, the information provided showed deriding energy of 78.56kcal/mol with a volume of 332.07 Å3, a minimal projection area of 55.84 Å2 and maximum at 105.03 Å2.
Chemical and physical properties of compound include a heavy atom count of 17, topological polar surface area of 106, covalently bonded unit count of 1, feature 3D acceptor count of 4, feature 3D donor count of 1, feature 3D ring count of 2, and effective rotor count of 2.6.
SDB-005 is at this time classified as research compounds. This means the chemicals is not intended for human or animal consumption and should be used in controlled settings for scientific or forensic research studies.
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