(5E)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
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![(5E)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/579ab3a926874d21a985f49f820f9e07.png "(5E)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione")
(5E)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
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CAS No:
444763-96-6
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Formula:
C22H17N3O4S
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Chemical Name:
(5E)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
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Synonyms:
(5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione;ZINC2369410;STK201019;STL057283;AKOS000334744;AKOS005709896;(5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione;(5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione;444763-96-6
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CAS No:
(5E)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Basic Attributes
419.5 g/mol
419.09397721 g/mol
Computed Properties
Molecular Weight:419.5
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:419.09397721
Monoisotopic Mass:419.09397721
Topological Polar Surface Area:116
Heavy Atom Count:30
Complexity:711
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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