909670-24-2 Purity
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Specification
The molecular formula of Peakdale 1015696 is C17H20F3N5O2.
Peakdale 1015696 was created on February 29, 2008, and last modified on December 30, 2023.
The IUPAC Name of Peakdale 1015696 is 3-methyl-6-[4-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1,4-diazepan-1-yl]-1H-pyrimidine-2,4-dione.
The InChI of Peakdale 1015696 is InChI=1S/C17H20F3N5O2/c1-23-15(26)9-14(22-16(23)27)25-6-2-5-24(7-8-25)11-12-3-4-13(21-10-12)17(18,19)20/h3-4,9-10H,2,5-8,11H2,1H3,(H,22,27).
The InChIKey of Peakdale 1015696 is INGZBPFFFGFSEG-UHFFFAOYSA-N.
The Canonical SMILES of Peakdale 1015696 is CN1C(=O)C=C(NC1=O)N2CCCN(CC2)CC3=CN=C(C=C3)C(F)(F)F.
The XLogP3-AA value of Peakdale 1015696 is 1.1.
Peakdale 1015696 has 8 hydrogen bond acceptors.
The topological polar surface area of Peakdale 1015696 is 68.8 Å2.
Yes, based on the property "Compound Is Canonicalized", Peakdale 1015696 is canonicalized.