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Home > Indoles and Oxindole > 115978-01-3
115978-01-3 | Glycine, N-[4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)benzoyl]-
CAS No: 115978-01-3 Catalog No: AG000HA3 MDL No:
Product Description
Catalog Number:
AG000HA3
Chemical Name:
Glycine, N-[4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)benzoyl]-
CAS Number:
115978-01-3
Molecular Formula:
C17H12N2O5
Molecular Weight:
324.2876
IUPAC Name:
2-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]acetic acid
InChI:
InChI=1S/C17H12N2O5/c20-14(21)9-18-15(22)10-5-7-11(8-6-10)19-16(23)12-3-1-2-4-13(12)17(19)24/h1-8H,9H2,(H,18,22)(H,20,21)
InChI Key:
ZXHHFWIHGLCKOP-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.075g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.292g/mol
Monoisotopic Mass:
324.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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