(5E)-5-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
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![(5E)-5-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e184cfd608d646c7879472f0c7b7c842.png "(5E)-5-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione")
(5E)-5-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
structure -
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CAS No:
677754-81-3
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Formula:
C18H15ClFN3O2S
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Chemical Name:
(5E)-5-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
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Synonyms:
(5E)-5-{[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione;ZINC9009956;STK081134;STK575745;AKOS000328722;AKOS005500515;(5E)-5-{[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione;(E)-5-((1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione;677754-81-3
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CAS No:
(5E)-5-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Basic Attributes
391.8 g/mol
391.0557538 g/mol
Computed Properties
Molecular Weight:391.8
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:391.0557538
Monoisotopic Mass:391.0557538
Topological Polar Surface Area:86.4
Heavy Atom Count:26
Complexity:658
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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