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15032-13-0 | 1H-Indole-2,3-dione, 5-bromo-1-(4-morpholinylmethyl)-
CAS No: 15032-13-0 Catalog No: AG001MJ2 MDL No:MFCD00111801
Product Description
Catalog Number:
AG001MJ2
Chemical Name:
1H-Indole-2,3-dione, 5-bromo-1-(4-morpholinylmethyl)-
CAS Number:
15032-13-0
Molecular Formula:
C13H13BrN2O3
Molecular Weight:
325.1579
MDL Number:
MFCD00111801
IUPAC Name:
5-bromo-1-(morpholin-4-ylmethyl)indole-2,3-dione
InChI:
InChI=1S/C13H13BrN2O3/c14-9-1-2-11-10(7-9)12(17)13(18)16(11)8-15-3-5-19-6-4-15/h1-2,7H,3-6,8H2
InChI Key:
KGIQQBWGHZTDCW-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=O)C(=O)N2CN1CCOCC1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.011g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.162g/mol
Monoisotopic Mass:
324.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Identification of inhibitors of N5-carboxyaminoimidazole ribonucleotide synthetase by high-throughput screening. | Bioorganic & medicinal chemistry 20090501 |
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