9-fluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;dihydrochloride
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![9-fluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;dihydrochloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/dcb3274dc9c9488d926ac81ced4eae79.png "9-fluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;dihydrochloride")
9-fluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;dihydrochloride
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CAS No:
85195-85-3
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Formula:
C22H30Cl2FN3O3S2
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Chemical Name:
9-fluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;dihydrochloride
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Synonyms:
85195-85-3;DTXSID301005668;Dibenzo(b,f)thiepin-2-sulfonamide, 10,11-dihydro-7-fluoro-11-(4-(2-hydroxyethyl)-1-piperazinyl)-N,N-dimethyl-, hydrochloride, hydrate (1:2:1);7-Fluoro-11-[4-(2-hydroxyethyl)piperazin-1-yl]-N,N-dimethyl-10,11-dihydrodibenzo[b,f]thiepine-2-sulfonamide--hydrogen chloride (1/2)
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CAS No:
9-fluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;dihydrochloride Basic Attributes
538.5 g/mol
537.1089677 g/mol
Computed Properties
Molecular Weight:538.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:537.1089677
Monoisotopic Mass:537.1089677
Topological Polar Surface Area:97.8
Heavy Atom Count:33
Complexity:697
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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