214852-60-5 Purity
96%
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Specification
The molecular formula of SB 277011 hydrochloride is C28H31ClN4O.
The molecular weight of SB 277011 hydrochloride is 475.0 g/mol.
The IUPAC name of SB 277011 hydrochloride is N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]quinoline-4-carboxamide;hydrochloride.
The InChIKey of SB 277011 hydrochloride is DKPTUMKZXQOJCX-UHFFFAOYSA-N.
The Canonical SMILES of SB 277011 hydrochloride is C1CC(CCC1CCN2CCC3=C(C2)C=CC(=C3)C#N)NC(=O)C4=CC=NC5=CC=CC=C45.Cl.
The Hydrogen Bond Donor Count of SB 277011 hydrochloride is 2.
The Hydrogen Bond Acceptor Count of SB 277011 hydrochloride is 4.
The Rotatable Bond Count of SB 277011 hydrochloride is 5.
The Topological Polar Surface Area of SB 277011 hydrochloride is 69Ų.
Yes, SB 277011 hydrochloride is a canonicalized compound.