MRK 003
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MRK 003
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CAS No:
623165-93-5
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Formula:
C25H31F6N3O2S
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Chemical Name:
MRK 003
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Synonyms:
(3'R,6S,9R)-5'-(2,2,2-trifluoroethyl)-2-((E)-3-(4-(trifluoromethyl)piperidin-1-yl)prop-1-en-1-yl)-5,6,7,8,9,10-hexahydrospiro[6,9-methanobenzo[8]annulene-11,3'-[1,2,5]thiadiazolidine] 1',1'-dioxide;
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CAS No:
Computed Properties
Molecular Weight:551.6
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:4
Exact Mass:551.20411739
Monoisotopic Mass:551.20411739
Topological Polar Surface Area:61
Heavy Atom Count:37
Complexity:957
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes