4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidopiperazin-1-ium
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4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidopiperazin-1-ium
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CAS No:
32860-00-7
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Formula:
C19H21ClN2OS
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Chemical Name:
4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidopiperazin-1-ium
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Synonyms:
clotepin-N-oxide;octoclothepine-N-oxide;32860-00-7;Clotepin-N-oxide;Octoclothepine-N-oxide;Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, 4-oxide;DTXSID00954514;AKOS005065848;4-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-methyl-1-oxo-1lambda~5~-piperazine
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CAS No:
4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidopiperazin-1-ium Basic Attributes
360.9 g/mol
360.1063122 g/mol
Computed Properties
Molecular Weight:360.9
XLogP3:3.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:360.1063122
Monoisotopic Mass:360.1063122
Topological Polar Surface Area:46.6
Heavy Atom Count:24
Complexity:443
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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