(E)-but-2-enedioic acid,1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-pyridin-2-ylpiperazine
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![(E)-but-2-enedioic acid,1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-pyridin-2-ylpiperazine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fcbfd8226f524bf4919d65ad391a123a.png "(E)-but-2-enedioic acid,1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-pyridin-2-ylpiperazine")
(E)-but-2-enedioic acid,1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-pyridin-2-ylpiperazine
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CAS No:
59698-54-3
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Formula:
C31H31N3O8S
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Chemical Name:
(E)-but-2-enedioic acid,1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-pyridin-2-ylpiperazine
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Synonyms:
1-(10,11-Dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-pyridinyl)piperazine maleate (1:2); Piperazine,1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-pyridinyl)-,(Z)-2-butenedioate (1:2); 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-pyridin-2-ylpiperazine;
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CAS No:
(E)-but-2-enedioic acid,1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-pyridin-2-ylpiperazine Basic Attributes
605.65800
605.18318613
Computed Properties
Molecular Weight:605.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:6
Exact Mass:605.18318613
Monoisotopic Mass:605.18318613
Topological Polar Surface Area:194
Heavy Atom Count:43
Complexity:597
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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