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130717-51-0

130717-51-0 structural image
Product Name: FR 122047 HYDROCHLORIDE
Formula: C23H26ClN3O3S
Synonyms: 1-[(4,5-Bis(4-methoxyphenyl)-2-thiazoyl)carbonyl]-4-methylpiperazine hydrochloride;COX-1 Inhibitor, FR122047 - CAS 130717-51-0 - Calbiochem;FR 122047, 1-[(4,5-Bis(4-methoxyphenyl-2-thiazoyl)carbonyl]-4-methylpiperazine, Hydrochloride, 4,5-Bis(4-methoxyphenyl-2-[(1-methylpiperazin-4-yl)carbonyl]thiazole, Hydrochloride
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COMPUTED DESCRIPTORS

Molecular Weight 460.0 g/mol
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 459.1383406 g/mol
Monoisotopic Mass 459.1383406 g/mol
Topological Polar Surface Area 83.1 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 556
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes