(5E)-5-[[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
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![(5E)-5-[[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0b47d6eb6942402cbf268c872511573e.png "(5E)-5-[[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione")
(5E)-5-[[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
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CAS No:
332355-77-8
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Formula:
C27H27N3O2S
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Chemical Name:
(5E)-5-[[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
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Synonyms:
5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(4-ethylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione;ZINC858024;STK626488;AKOS003230217;AKOS005558941;AG-690/13706055;(5E)-5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-ethylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione;332355-77-8
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CAS No:
(5E)-5-[[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Basic Attributes
457.6 g/mol
457.18239829 g/mol
Computed Properties
Molecular Weight:457.6
XLogP3:6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:457.18239829
Monoisotopic Mass:457.18239829
Topological Polar Surface Area:86.4
Heavy Atom Count:33
Complexity:793
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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