1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-methylsulfanylethyl)piperazine,methanesulfonic acid
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![1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-methylsulfanylethyl)piperazine,methanesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/88f4322636e840d5b99676cdea82ce0a.png "1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-methylsulfanylethyl)piperazine,methanesulfonic acid")
1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-methylsulfanylethyl)piperazine,methanesulfonic acid
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CAS No:
101040-88-4
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Formula:
C23H33ClN2O6S4
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Chemical Name:
1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-methylsulfanylethyl)piperazine,methanesulfonic acid
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Synonyms:
1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-methylsulfanylethyl)piperazine; Piperazine,1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(methylthio)ethyl)-,bis(methanesulfonate),monohydrate; 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(methylthio)ethyl)piperazine;
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CAS No:
1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-methylsulfanylethyl)piperazine,methanesulfonic acid Basic Attributes
597.23100
596.0909992
Computed Properties
Molecular Weight:597.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:596.0909992
Monoisotopic Mass:596.0909992
Topological Polar Surface Area:183
Heavy Atom Count:36
Complexity:536
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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