CAS
94094-50-5 Purity
96%
94094-50-5 Purity
96%
![4-[[4-Hydroxy-3-[1-oxo-3-[3-(trifluoromethyl)phenyl]allyl]phenyl]amino]-4-oxobutyric acid](https://resource.alfa-chemistry.com/structure/94094-55-0.gif)
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N-[4-Hydroxy-3-[3-[4-[2-(morpholin-4-yl)ethoxy]phenyl]-1-oxovinyl]phenyl]methanesulfonamide
CAS
94094-53-8
Catalog Number
ACM94094538
Category
Other Products
Molecular Formula
C22H26N2O6S
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What is the molecular formula of the compound?
The molecular formula is C22H26N2O6S.
When was the compound created and last modified?
The compound was created on 2012-03-21 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is N-[4-hydroxy-3-[(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoyl]phenyl]methanesulfonamide.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CS(=O)(=O)NC1=CC(=C(C=C1)O)C(=O)C=CC2=CC=C(C=C2)OCCN3CCOCC3.
What is the InChIKey of the compound?
The InChIKey is PEAPXDSTUDYYML-XBXARRHUSA-N.
What is the molecular weight of the compound?
The molecular weight is 446.5 g/mol.
How many hydrogen bond acceptor counts does the compound have?
The compound has 8 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 114 Ų.
How many rotatable bond counts does the compound have?
The compound has 9 rotatable bond counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.5.
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CAS
94094-51-6 Purity
96%
94094-51-6 Purity
96%
![N-[4-Hydroxy-3-[3-[4-[2-(morpholin-4-yl)ethoxy]phenyl]-1-oxoallyl]phenyl]acetamide](https://resource.alfa-chemistry.com/structure/94094-52-7.gif)
CAS
94094-52-7 Purity
96%
94094-52-7 Purity
96%
