The molecular formula of the compound is C22H28F2N2.
What is the IUPAC name of the compound?
The IUPAC name of the compound is N,N-diethyl-2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanamine.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C22H28F2N2/c1-3-25(4-2)14-15-26-13-5-6-20(17-7-9-18(23)10-8-17)21-12-11-19(24)16-22(21)26/h7-12,16,20H,3-6,13-15H2,1-2H3.
What is the InChIKey of the compound?
The InChIKey of the compound is DOTHZCSFEPFCMS-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCN(CC)CCN1CCCC(C2=C1C=C(C=C2)F)C3=CC=C(C=C3)F.
What is the molecular weight of the compound?
The molecular weight of the compound is 358.5 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 5.2.
How many hydrogen bond donor count does the compound have?
The compound has 0 hydrogen bond donor count.
How many hydrogen bond acceptor count does the compound have?
The compound has 4 hydrogen bond acceptor count.
How many rotatable bond count does the compound have?
The compound has 6 rotatable bond count.
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