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353487-72-6 | N-[7-(4-Bromo-benzoyl)-2,3-dihydro-benzo[1,4]dioxin-6-yl]-acetamide
CAS No: 353487-72-6 Catalog No: AG01F5FT MDL No:
Product Description
Catalog Number:
AG01F5FT
Chemical Name:
N-[7-(4-Bromo-benzoyl)-2,3-dihydro-benzo[1,4]dioxin-6-yl]-acetamide
CAS Number:
353487-72-6
Molecular Formula:
C17H14BrNO4
Molecular Weight:
376.2014
IUPAC Name:
N-[7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acetamide
InChI:
InChI=1S/C17H14BrNO4/c1-10(20)19-14-9-16-15(22-6-7-23-16)8-13(14)17(21)11-2-4-12(18)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,19,20)
InChI Key:
ZCNMCMKOFQQHHO-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc2OCCOc2cc1C(=O)c1ccc(cc1)Br
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.011g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.206g/mol
Monoisotopic Mass:
375.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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