(5E)-5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
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![(5E)-5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/90cc5158ae854c02a4786275f99c84fd.png "(5E)-5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione")
(5E)-5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
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CAS No:
371211-93-7
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Formula:
C21H23N3O3S
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Chemical Name:
(5E)-5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
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Synonyms:
5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione;ZINC9013360;STK598717;STK988470;AKOS005519670;AKOS025141253;AO-081/15386939;(5E)-5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione;(5E)-5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione;371211-93-7
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CAS No:
(5E)-5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Basic Attributes
397.5 g/mol
397.14601278 g/mol
Computed Properties
Molecular Weight:397.5
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:397.14601278
Monoisotopic Mass:397.14601278
Topological Polar Surface Area:95.7
Heavy Atom Count:28
Complexity:657
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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