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Home > Imidazoles > 50257-40-4
50257-40-4 | 1-((2,4,6-Triisopropylphenyl)sulfonyl)-1H-imidazole
CAS No: 50257-40-4 Catalog No: AG003CSQ MDL No:MFCD00005283
Product Description
Catalog Number:
AG003CSQ
Chemical Name:
1-((2,4,6-Triisopropylphenyl)sulfonyl)-1H-imidazole
CAS Number:
50257-40-4
Molecular Formula:
C18H26N2O2S
Molecular Weight:
334.4762
MDL Number:
MFCD00005283
IUPAC Name:
1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole
InChI:
InChI=1S/C18H26N2O2S/c1-12(2)15-9-16(13(3)4)18(17(10-15)14(5)6)23(21,22)20-8-7-19-11-20/h7-14H,1-6H3
InChI Key:
AGGRGODMKWLSDE-UHFFFAOYSA-N
SMILES:
CC(c1cc(cc(c1S(=O)(=O)n1cncc1)C(C)C)C(C)C)C
EC Number:
256-509-5
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.171g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.478g/mol
Monoisotopic Mass:
334.171g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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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