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337506-32-8 | N-[2-(1-Benzyl-2-methyl-1H-indol-3-yl)-ethyl]-4-bromo-benzenesulfonamide
CAS No: 337506-32-8 Catalog No: AG01F4RI MDL No:
Product Description
Catalog Number:
AG01F4RI
Chemical Name:
N-[2-(1-Benzyl-2-methyl-1H-indol-3-yl)-ethyl]-4-bromo-benzenesulfonamide
CAS Number:
337506-32-8
Molecular Formula:
C24H23BrN2O2S
Molecular Weight:
483.4206
IUPAC Name:
N-[2-(1-benzyl-2-methylindol-3-yl)ethyl]-4-bromobenzenesulfonamide
InChI:
InChI=1S/C24H23BrN2O2S/c1-18-22(15-16-26-30(28,29)21-13-11-20(25)12-14-21)23-9-5-6-10-24(23)27(18)17-19-7-3-2-4-8-19/h2-14,26H,15-17H2,1H3
InChI Key:
LJTLAWIDKUSPLD-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)S(=O)(=O)NCCc1c(C)n(c2c1cccc2)Cc1ccccc1
Properties
Complexity:
638
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.066g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
483.424g/mol
Monoisotopic Mass:
482.066g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
59.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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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