(E)-but-2-enedioic acid,1-[2-[2-[4-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]butoxy]-5-methoxyphenyl]-2H-1,3-benzothiazol-3-yl]ethanone
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![(E)-but-2-enedioic acid,1-[2-[2-[4-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]butoxy]-5-methoxyphenyl]-2H-1,3-benzothiazol-3-yl]ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8ad418fed7b24c2bb3974bc3ef4a070e.png "(E)-but-2-enedioic acid,1-[2-[2-[4-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]butoxy]-5-methoxyphenyl]-2H-1,3-benzothiazol-3-yl]ethanone")
(E)-but-2-enedioic acid,1-[2-[2-[4-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]butoxy]-5-methoxyphenyl]-2H-1,3-benzothiazol-3-yl]ethanone
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CAS No:
86135-85-5
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Formula:
C42H51N3O13S
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Chemical Name:
(E)-but-2-enedioic acid,1-[2-[2-[4-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]butoxy]-5-methoxyphenyl]-2H-1,3-benzothiazol-3-yl]ethanone
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Synonyms:
Benzothiazole,2,3-dihydro-3-acetyl-2-(2-(4-(4-(2-(3,4-dimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)-5-methoxyphenyl)-,(E)-2-butenedioate (1:2);
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CAS No:
(E)-but-2-enedioic acid,1-[2-[2-[4-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]butoxy]-5-methoxyphenyl]-2H-1,3-benzothiazol-3-yl]ethanone Basic Attributes
837.93200
837.31425986
Computed Properties
Molecular Weight:837.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:17
Exact Mass:837.31425986
Monoisotopic Mass:837.31425986
Topological Polar Surface Area:238
Heavy Atom Count:59
Complexity:964
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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