1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine,methanesulfonic acid
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![1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine,methanesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/bd68d399cde24492b92b8155b3cdc593.png "1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine,methanesulfonic acid")
1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine,methanesulfonic acid
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CAS No:
104821-40-1
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Formula:
C24H30ClFN2O5S2
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Chemical Name:
1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine,methanesulfonic acid
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CAS No:
1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine,methanesulfonic acid Basic Attributes
545.08700
544.1268703
Computed Properties
Molecular Weight:545.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:544.1268703
Monoisotopic Mass:544.1268703
Topological Polar Surface Area:113
Heavy Atom Count:35
Complexity:654
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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