(5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione
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![(5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7dafd8616a37473887fe7becceb55dc6.png "(5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione")
(5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione
structure -
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CAS No:
1164516-92-0
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Formula:
C21H27N3O2S
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Chemical Name:
(5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione
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Synonyms:
SMR000220124;MLS000588074;CHEMBL1350249;ZINC5249597;STK563007;STL006290;AKOS005488473;AKOS032389953;(5E)-5-[4-(azepan-1-yl)benzylidene]-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione;(5E)-5-[4-(azepan-1-yl)benzylidene]-1-butyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione;1164516-92-0;5-[1-(4-Azepan-1-yl-phenyl)-meth-(E)-ylidene]-1-butyl-2-thioxo-dihydro-pyrimidine-4,6-dione
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CAS No:
(5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione Basic Attributes
385.5 g/mol
385.18239829 g/mol
Computed Properties
Molecular Weight:385.5
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:385.18239829
Monoisotopic Mass:385.18239829
Topological Polar Surface Area:84.7
Heavy Atom Count:27
Complexity:588
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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