459-57-4 Purity
>98.0%(GC)
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Specification
The molecular formula of tegobuvir is C25H14F7N5.
The molecular weight of tegobuvir is 517.4 g/mol.
The IUPAC name of tegobuvir is 5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine.
The InChIKey of tegobuvir is XBEQSQDCBSKCHJ-UHFFFAOYSA-N.
The canonical SMILES of tegobuvir is C1=CC=C(C(=C1)C2=NC3=CN(C=CC3=N2)CC4=NN=C(C=C4)C5=C(C=C(C=C5)C(F)(F)F)F)F.
The CAS number of tegobuvir is 1000787-75-6.
Tegobuvir has 11 hydrogen bond acceptor counts.
Tegobuvir has 4 rotatable bond counts.
The topological polar surface area of tegobuvir is 56.5 angstrom squared.
Tegobuvir has a total of 37 heavy atoms.