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104996-57-8 | 2-(4-Methyl-quinolin-2-ylsulfanyl)-acetamide
CAS No: 104996-57-8 Catalog No: AG01FAJC MDL No:
Product Description
Catalog Number:
AG01FAJC
Chemical Name:
2-(4-Methyl-quinolin-2-ylsulfanyl)-acetamide
CAS Number:
104996-57-8
Molecular Formula:
C12H12N2OS
Molecular Weight:
232.3015
IUPAC Name:
2-(4-methylquinolin-2-yl)sulfanylacetamide
InChI:
InChI=1S/C12H12N2OS/c1-8-6-12(16-7-11(13)15)14-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3,(H2,13,15)
InChI Key:
LRRNTYJDOASKBI-UHFFFAOYSA-N
SMILES:
NC(=O)CSc1cc(C)c2c(n1)cccc2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.301g/mol
Monoisotopic Mass:
232.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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