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15795-57-0 | 1,3-Dioxane-4,6-dione, 5-[[4-(dimethylamino)phenyl]methylene]-2,2-dimethyl-
CAS No: 15795-57-0 Catalog No: AG001PUJ MDL No:MFCD00106878
Product Description
Catalog Number:
AG001PUJ
Chemical Name:
1,3-Dioxane-4,6-dione, 5-[[4-(dimethylamino)phenyl]methylene]-2,2-dimethyl-
CAS Number:
15795-57-0
Molecular Formula:
C15H17NO4
Molecular Weight:
275.2998
MDL Number:
MFCD00106878
IUPAC Name:
5-[[4-(dimethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C15H17NO4/c1-15(2)19-13(17)12(14(18)20-15)9-10-5-7-11(8-6-10)16(3)4/h5-9H,1-4H3
InChI Key:
AKJKGSPZKUCMLG-UHFFFAOYSA-N
SMILES:
O=C1OC(C)(C)OC(=O)C1=Cc1ccc(cc1)N(C)C
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.304g/mol
Monoisotopic Mass:
275.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Synthesis and biological evaluation of arylidene analogues of Meldrum's acid as a new class of antimalarial and antioxidant agents. | Bioorganic & medicinal chemistry 20100801 |
| 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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