CAS
90961-73-2 Purity
96%
90961-73-2 Purity
96%
![1-[2-(4-Chlorophenoxy)ethyl]-4-([6-(trifluoromethyl)pyridin-3-yl]methyl)-1,4-diazepan-5-one](https://resource.alfa-chemistry.com/structure/909659-29-6.gif)
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1-(3,5-Difluorobenzyl)-4-([6-(trifluoromethyl)pyridin-3-yl]methyl)-1,4-diazepan-5-one
CAS
909659-02-5
Catalog Number
ACM909659025
Category
Other Products
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What is the molecular formula of the compound?
The molecular formula of the compound is C19H18F5N3O.
When was the compound created and modified in PubChem?
The compound was created on February 29, 2008, and modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-[(3,5-difluorophenyl)methyl]-4-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1,4-diazepan-5-one.
What is the InChI key of the compound?
The InChI key of the compound is BLHRVPFTBJAACY-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts are there in the compound?
There are 8 hydrogen bond acceptor counts in the compound.
What is the exact mass of the compound?
The exact mass of the compound is 399.13700302 g/mol.
How many rotatable bond counts are there in the compound?
There are 4 rotatable bond counts in the compound.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 36.4 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many heavy atoms are present in the compound?
There are 28 heavy atoms present in the compound.
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909658-79-3 Purity
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909658-79-3 Purity
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CAS
909659-35-4 Purity
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909659-35-4 Purity
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![4-(Biphenyl-2-ylmethyl)-1-([6-(trifluoromethyl)pyridin-3-yl]methyl)-1,4-diazepan-5-one](https://resource.alfa-chemistry.com/structure/909659-40-1.gif)
CAS
909659-40-1 Purity
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909659-40-1 Purity
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