(E)-but-2-enedioic acid,4-(8-chloro-6H-benzo[b][1,5]benzoxathiepin-6-yl)-1-methylpiperidine
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![(E)-but-2-enedioic acid,4-(8-chloro-6H-benzo[b][1,5]benzoxathiepin-6-yl)-1-methylpiperidine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ac3ac86d8d8a4f3abedad9efbae92574.png "(E)-but-2-enedioic acid,4-(8-chloro-6H-benzo[b][1,5]benzoxathiepin-6-yl)-1-methylpiperidine")
(E)-but-2-enedioic acid,4-(8-chloro-6H-benzo[b][1,5]benzoxathiepin-6-yl)-1-methylpiperidine
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CAS No:
82387-18-6
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Formula:
C23H24ClNO5S
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Chemical Name:
(E)-but-2-enedioic acid,4-(8-chloro-6H-benzo[b][1,5]benzoxathiepin-6-yl)-1-methylpiperidine
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Synonyms:
2-Chloro-11-(1-methyl-4-piperidyl)-11H-dibenz(b,f)-1,4-oxathiepin hydrogen maleate; 4-(8-chloro-6H-benzo[b][1,5]benzoxathiepin-6-yl)-1-methylpiperidine; Piperidine,4-(2-chloro-11H-dibenz(b,f)(1,4)oxathiepin-11-yl)-1-methyl-,(Z)-2-butenedioate (1:1);
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CAS No:
(E)-but-2-enedioic acid,4-(8-chloro-6H-benzo[b][1,5]benzoxathiepin-6-yl)-1-methylpiperidine Basic Attributes
461.95800
461.1063717
Computed Properties
Molecular Weight:462.0
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:461.1063717
Monoisotopic Mass:461.1063717
Topological Polar Surface Area:112
Heavy Atom Count:31
Complexity:520
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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