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Structure

Peakdale 1015696

CAS
909670-43-5
Catalog Number
ACM909670435
Category
Other Products
Molecular Formula
C17H20F3N5O2

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Specification

Synonyms
PEAKDALE 1015696;3-METHYL-6-(4-([6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]METHYL)-1,4-DIAZEPAN-1-YL)PYRIMIDINE-2,4(1H,3H)-DIONE
What is the molecular formula of Peakdale 1015696?

The molecular formula of Peakdale 1015696 is C17H20F3N5O2.

When was Peakdale 1015696 created and last modified?

Peakdale 1015696 was created on February 29, 2008, and last modified on December 30, 2023.

What is the IUPAC Name of Peakdale 1015696?

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.

What is the InChI of Peakdale 1015696?

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).

What is the InChIKey of Peakdale 1015696?

The InChIKey of Peakdale 1015696 is INGZBPFFFGFSEG-UHFFFAOYSA-N.

What is the Canonical SMILES of Peakdale 1015696?

The Canonical SMILES of Peakdale 1015696 is CN1C(=O)C=C(NC1=O)N2CCCN(CC2)CC3=CN=C(C=C3)C(F)(F)F.

What is the XLogP3-AA value of Peakdale 1015696?

The XLogP3-AA value of Peakdale 1015696 is 1.1.

How many hydrogen bond acceptors does Peakdale 1015696 have?

Peakdale 1015696 has 8 hydrogen bond acceptors.

What is the topological polar surface area of Peakdale 1015696?

The topological polar surface area of Peakdale 1015696 is 68.8 Å2.

Is Peakdale 1015696 canonicalized?

Yes, based on the property "Compound Is Canonicalized", Peakdale 1015696 is canonicalized.

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