1-butyl-5-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
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![1-butyl-5-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/146903c3ace64884abaa64a9e539137a.png "1-butyl-5-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one")
1-butyl-5-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
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CAS No:
714255-22-8
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Formula:
C16H15ClF3N3O2S
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Chemical Name:
1-butyl-5-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
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Synonyms:
ZINC9350954;STL003548;STL051880;AKOS005704632;AKOS032391394;MCULE-1008648770;(5E)-1-butyl-5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione;(5E)-1-butyl-5-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione;714255-22-8
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CAS No:
1-butyl-5-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one Basic Attributes
405.8 g/mol
405.0525601 g/mol
Computed Properties
Molecular Weight:405.8
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:405.0525601
Monoisotopic Mass:405.0525601
Topological Polar Surface Area:97
Heavy Atom Count:26
Complexity:624
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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