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3-[4-[(5E)-5-[(4-butoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile
3-[4-[(5E)-5-[(4-butoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile
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![3-[4-[(5E)-5-[(4-butoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c776d80d9e8b4bbfa75dee129a8a396b.png "3-[4-[(5E)-5-[(4-butoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile")
3-[4-[(5E)-5-[(4-butoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile
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CAS No:
797771-11-0
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Formula:
C21H26N4O2S
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Chemical Name:
3-[4-[(5E)-5-[(4-butoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile
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Synonyms:
STK545691;ZINC20149890;AKOS005474587;3-{4-[(5E)-5-(4-butoxybenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}propanenitrile;797771-11-0
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CAS No:
3-[4-[(5E)-5-[(4-butoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile Basic Attributes
398.5 g/mol
398.17764726 g/mol
Computed Properties
Molecular Weight:398.5
XLogP3:3.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:398.17764726
Monoisotopic Mass:398.17764726
Topological Polar Surface Area:94.2
Heavy Atom Count:28
Complexity:638
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 3-[4-[(5E)-5-[(4-butoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile
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