3-[2-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoic acid
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![3-[2-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f12aba8e94164e73bdf4d9d70933b5b8.png "3-[2-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoic acid")
3-[2-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoic acid
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CAS No:
573946-43-7
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Formula:
C20H19N3O4S
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Chemical Name:
3-[2-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoic acid
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Synonyms:
AN-648/41664771;ZINC2233518;STL015467;AKOS003207540;MCULE-3819938873;3-{2-[(1,3-diethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}benzoic acid;3-{2-[(1,3-diethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid;573946-43-7
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CAS No:
3-[2-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoic acid Basic Attributes
397.4 g/mol
397.10962727 g/mol
Computed Properties
Molecular Weight:397.4
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:397.10962727
Monoisotopic Mass:397.10962727
Topological Polar Surface Area:115
Heavy Atom Count:28
Complexity:680
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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