2-[2-[(E)-[1-[2-(cyclohexen-1-yl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
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![2-[2-[(E)-[1-[2-(cyclohexen-1-yl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2b83c7ea751c448dac46116460c8e32f.png "2-[2-[(E)-[1-[2-(cyclohexen-1-yl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid")
2-[2-[(E)-[1-[2-(cyclohexen-1-yl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
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CAS No:
382653-57-8
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Formula:
C21H22N2O6
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Chemical Name:
2-[2-[(E)-[1-[2-(cyclohexen-1-yl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
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Synonyms:
MLS001043282;CHEMBL1380356;HMS2772E09;ZINC2334699;STL335206;STL580443;AKOS022139341;SMR000415049;{2-[(E)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene}methyl]phenoxy}acetic acid;{2-[(E)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene}methyl]phenoxy}acetic acid;{2-[1-(2-Cyclohex-1-enyl-ethyl)-2,4,6-trioxo-tetrahydro-pyrimidin-(5E)-ylidenemethyl]-phenoxy}-acetic acid;382653-57-8
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CAS No:
2-[2-[(E)-[1-[2-(cyclohexen-1-yl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid Basic Attributes
398.4 g/mol
398.14778643 g/mol
Computed Properties
Molecular Weight:398.4
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:398.14778643
Monoisotopic Mass:398.14778643
Topological Polar Surface Area:113
Heavy Atom Count:29
Complexity:742
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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