CAS
909658-79-3 Purity
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909658-79-3 Purity
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![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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4-(2-Phenylethyl)-1-([6-(trifluoromethyl)pyridin-3-yl]methyl)-1,4-diazepan-5-one
CAS
909659-35-4
Catalog Number
ACM909659354
Category
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What is the molecular formula of the compound?
The molecular formula of the compound is C20H22F3N3O.
What is the synonym of the compound?
The compound's synonym is 909659-35-4 4-(2-Phenylethyl)-1-([6-(trifluoromethyl)pyridin-3-yl]methyl)-1,4-diazepan-5-one.
What is the molecular weight of the compound?
The molecular weight of the compound is 377.4 g/mol.
When was the compound created?
The compound was created on February 16, 2015.
When was the compound last modified?
The compound was last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-(2-phenylethyl)-1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1,4-diazepan-5-one.
What is the InChI code of the compound?
The InChI code of the compound is InChI=1S/C20H22F3N3O/c21-20(22,23)18-7-6-17(14-24-18)15-25-10-9-19(27)26(13-12-25)11-8-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2.
What is the InChIKey of the compound?
The InChIKey of the compound is SKWVCDMNLRXXJB-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1CN(CCN(C1=O)CCC2=CC=CC=C2)CC3=CN=C(C=C3)C(F)(F)F.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.8.
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