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Home > Other Heterocycles > 339028-98-7
339028-98-7 | 6'-(4-methoxyphenyl)-2,4-dihydrospiro[1-benzothiopyran-3,3'-[1,5]dioxane]-4-one
CAS No: 339028-98-7 Catalog No: AG00IVR1 MDL No:MFCD00139949
Product Description
Catalog Number:
AG00IVR1
Chemical Name:
6'-(4-methoxyphenyl)-2,4-dihydrospiro[1-benzothiopyran-3,3'-[1,5]dioxane]-4-one
CAS Number:
339028-98-7
Molecular Formula:
C19H18O4S
Molecular Weight:
342.4088
MDL Number:
MFCD00139949
IUPAC Name:
2-(4-methoxyphenyl)spiro[1,3-dioxane-5,3'-2H-thiochromene]-4'-one
InChI:
InChI=1S/C19H18O4S/c1-21-14-8-6-13(7-9-14)18-22-10-19(11-23-18)12-24-16-5-3-2-4-15(16)17(19)20/h2-9,18H,10-12H2,1H3
InChI Key:
PRXPUQIFDWCPHD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1OCC2(CO1)CSc1c(C2=O)cccc1
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.093g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.409g/mol
Monoisotopic Mass:
342.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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