(E)-but-2-enedioic acid,3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl decanoate
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![(E)-but-2-enedioic acid,3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl decanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f9059d4dbee34a89b1b8043560001210.png "(E)-but-2-enedioic acid,3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl decanoate")
(E)-but-2-enedioic acid,3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl decanoate
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CAS No:
41931-62-8
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Formula:
C40H54N2O10S2
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Chemical Name:
(E)-but-2-enedioic acid,3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl decanoate
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Synonyms:
Oxyprothepin decanoate;
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CAS No:
(E)-but-2-enedioic acid,3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl decanoate Basic Attributes
786.99400
786.32198827
Computed Properties
Molecular Weight:787.0
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:19
Exact Mass:786.32198827
Monoisotopic Mass:786.32198827
Topological Polar Surface Area:233
Heavy Atom Count:54
Complexity:791
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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