(E)-but-2-enedioic acid,1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine
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![(E)-but-2-enedioic acid,1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f0fe30b5ea8d4b3f842f064ce7cc47a5.png "(E)-but-2-enedioic acid,1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine")
(E)-but-2-enedioic acid,1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine
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CAS No:
39890-00-1
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Formula:
C28H33ClN2O6S
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Chemical Name:
(E)-but-2-enedioic acid,1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine
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Synonyms:
Piperazine,1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(1,3-dioxan-2-yl)ethyl)-,(Z)-2-butenedioate (1:1);
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CAS No:
(E)-but-2-enedioic acid,1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine Basic Attributes
561.08900
560.1747856
Computed Properties
Molecular Weight:561.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:560.1747856
Monoisotopic Mass:560.1747856
Topological Polar Surface Area:125
Heavy Atom Count:38
Complexity:660
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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