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methanesulfonic acid;5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carboxamide

methanesulfonic acid;5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carboxamide structure

CAS No:
55301-84-3
Formula:
C22H31N3O7S3
Chemical Name:
methanesulfonic acid;5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carboxamide
Synonyms:
55301-84-3;DTXSID30970626;Dibenzo(b,f)thiepin-2-carboxamide, 10,11-dihydro-11-(4-methyl-1-piperazinyl)-, methanesulfonate, hydrate (1:2:2);11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepine-2-carboximidic acid--methanesulfonic acid (1/2)

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methanesulfonic acid;5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carboxamide Basic Attributes

Molecular Weight：

545.7 g/mol

Exact Mass：

545.13241386 g/mol

Characteristics

PSA：

200 Å²

Computed Properties

Molecular Weight:545.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:2
Exact Mass:545.13241386
Monoisotopic Mass:545.13241386
Topological Polar Surface Area:200
Heavy Atom Count:35
Complexity:572
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of methanesulfonic acid;5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carboxamide

Basic Attributes
Characteristics
Computed Properties
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