3-[[4-[(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
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![3-[[4-[(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2db3aebefd2040bb8fe1c228280d0a07.png "3-[[4-[(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid")
3-[[4-[(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
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CAS No:
6170-10-1
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Formula:
C27H22N2O6S
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Chemical Name:
3-[[4-[(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
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Synonyms:
STK188215;6170-10-1;SCHEMBL22523874;DTXSID80365649;SMSF0016330;ZINC2308579;STK617575;AKOS005412609;AKOS005551590;CB06707;BIM-0004657.P001;3-[(4-{(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}phenoxy)methyl]benzoic acid;3-[(4-{(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid
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CAS No:
3-[[4-[(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid Basic Attributes
502.5 g/mol
502.11985760 g/mol
DTXSID80365649
Computed Properties
Molecular Weight:502.5
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:502.11985760
Monoisotopic Mass:502.11985760
Topological Polar Surface Area:137
Heavy Atom Count:36
Complexity:860
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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