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126581-72-4 | Indeno[2,1-b]pyrrol-8(1H)-one, 5-bromo-3-[(dimethylamino)methyl]-1,2-dimethyl-
CAS No: 126581-72-4 Catalog No: AG000SYW MDL No:
Product Description
Catalog Number:
AG000SYW
Chemical Name:
Indeno[2,1-b]pyrrol-8(1H)-one, 5-bromo-3-[(dimethylamino)methyl]-1,2-dimethyl-
CAS Number:
126581-72-4
Molecular Formula:
C16H17BrN2O
Molecular Weight:
333.2230
IUPAC Name:
7-bromo-1-[(dimethylamino)methyl]-2,3-dimethylindeno[2,3-b]pyrrol-4-one
InChI:
InChI=1S/C16H17BrN2O/c1-9-13(8-18(2)3)14-12-7-10(17)5-6-11(12)16(20)15(14)19(9)4/h5-7H,8H2,1-4H3
InChI Key:
OYLCUBJGWXJMOR-UHFFFAOYSA-N
SMILES:
CN(Cc1c(C)n(c2c1c1cc(Br)ccc1C2=O)C)C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.052g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.229g/mol
Monoisotopic Mass:
332.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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