(E)-but-2-enedioic acid,3-chloro-9-methoxy-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
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![(E)-but-2-enedioic acid,3-chloro-9-methoxy-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/608b59f683cb4e8c9733b5cd37ac06cc.png "(E)-but-2-enedioic acid,3-chloro-9-methoxy-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide")
(E)-but-2-enedioic acid,3-chloro-9-methoxy-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
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CAS No:
69231-73-8
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Formula:
C23H25ClN2O6S
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Chemical Name:
(E)-but-2-enedioic acid,3-chloro-9-methoxy-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
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Synonyms:
3-chloro-9-methoxy-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide; 1-(8-Chloro-10,11-dihydro-3-methoxydibenzo(b,f)thiepin-10-yl)piperazine S-oxide maleate; Piperazine,1-(8-chloro-10,11-dihydro-3-methoxydibenzo(b,f)thiepin-10-yl)-,S-oxide,(Z)-2-butenedioate (1:1); 8-Chloro-3-methoxy-10-piperazino-10,11-dihydrodibenzo(b,f)thiepin 5-oxide maleate;
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CAS No:
(E)-but-2-enedioic acid,3-chloro-9-methoxy-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide Basic Attributes
492.97200
492.1121854
Computed Properties
Molecular Weight:493.0
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:492.1121854
Monoisotopic Mass:492.1121854
Topological Polar Surface Area:135
Heavy Atom Count:33
Complexity:607
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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