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methanesulfonic acid;N-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]acetamide

methanesulfonic acid;N-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]acetamide structure

CAS No:
40400-08-6
Formula:
C23H33N3O7S3
Chemical Name:
methanesulfonic acid;N-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]acetamide
Synonyms:
40400-08-6;8-Acetamido-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O;Acetamide, N-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, methanesulfonate, hydrate (1:2:1);DTXSID50960802;N-[11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepin-2-yl]ethanimidic acid--methanesulfonic acid (1/2)

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

Molecular Weight：

559.7 g/mol

Exact Mass：

559.14806392 g/mol

Characteristics

PSA：

186 Å²

Computed Properties

Molecular Weight:559.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:2
Exact Mass:559.14806392
Monoisotopic Mass:559.14806392
Topological Polar Surface Area:186
Heavy Atom Count:36
Complexity:586
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties
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