1-(azepan-1-yl)-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone,(E)-but-2-enedioic acid
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![1-(azepan-1-yl)-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone,(E)-but-2-enedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e599cce8e2414bfbb28e119f593121f7.png "1-(azepan-1-yl)-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone,(E)-but-2-enedioic acid")
1-(azepan-1-yl)-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone,(E)-but-2-enedioic acid
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CAS No:
39890-29-4
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Formula:
C37H45N3O12
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Chemical Name:
1-(azepan-1-yl)-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone,(E)-but-2-enedioic acid
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Synonyms:
1-(azepan-1-yl)-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone; Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane),6,11-dihydro-4'-(4-((hexahydro-1H-azepin-1-yl)carbonylmethyl)piperazinyl)methyl-,dimaleate;
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CAS No:
1-(azepan-1-yl)-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone,(E)-but-2-enedioic acid Basic Attributes
723.76600
723.30032388
Computed Properties
Molecular Weight:723.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:8
Exact Mass:723.30032388
Monoisotopic Mass:723.30032388
Topological Polar Surface Area:204
Heavy Atom Count:52
Complexity:855
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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