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Home > Imidazoles > 956411-89-5
956411-89-5 | 2-{[(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]sulfanyl}benzoic acid
CAS No: 956411-89-5 Catalog No: AG019NLV MDL No:MFCD06359553
Product Description
Catalog Number:
AG019NLV
Chemical Name:
2-{[(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]sulfanyl}benzoic acid
CAS Number:
956411-89-5
Molecular Formula:
C12H12N2O4S
Molecular Weight:
280.2997
MDL Number:
MFCD06359553
IUPAC Name:
2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzoic acid
InChI:
InChI=1S/C12H12N2O4S/c1-12(10(17)13-11(18)14-12)6-19-8-5-3-2-4-7(8)9(15)16/h2-5H,6H2,1H3,(H,15,16)(H2,13,14,17,18)
InChI Key:
PNBKVPJQBCUEBV-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(N1)(C)CSc1ccccc1C(=O)O
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.052g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
280.298g/mol
Monoisotopic Mass:
280.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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