1,2-Benzisothiazol-3(2H)-one, 2-[[[(17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl]oxy]methyl]-, 1,1-dioxide
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1,2-Benzisothiazol-3(2H)-one, 2-[[[(17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl]oxy]methyl]-, 1,1-dioxide
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CAS No:
157231-19-1
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Formula:
C26H29NO5S
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Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 2-[[[(17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl]oxy]methyl]-, 1,1-dioxide
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Synonyms:
1,2-Benzisothiazol-3(2H)-one,2-[[[(17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl]oxy]methyl]-,1,1-dioxide;Estrane,1,2-benzisothiazol-3(2H)-one deriv.
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CAS No:
1,2-Benzisothiazol-3(2H)-one, 2-[[[(17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl]oxy]methyl]-, 1,1-dioxide Basic Attributes
467.6 g/mol
467.58
Computed Properties
Molecular Weight:467.6
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:467.17664420
Monoisotopic Mass:467.17664420
Topological Polar Surface Area:92.3
Heavy Atom Count:33
Complexity:886
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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