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Home > Imidazoles > 606117-52-6
606117-52-6 | Acetamide, 2-[[1-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]-1H-benzimidazol-2-yl]thio]-N,N-bis(1-methylethyl)- (9CI)
CAS No: 606117-52-6 Catalog No: AG00EHWL MDL No:
Product Description
Catalog Number:
AG00EHWL
Chemical Name:
Acetamide, 2-[[1-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]-1H-benzimidazol-2-yl]thio]-N,N-bis(1-methylethyl)- (9CI)
CAS Number:
606117-52-6
IUPAC Name:
2-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
InChI:
InChI=1S/C24H36N4O2S/c1-16(2)28(17(3)4)23(30)15-31-24-25-20-9-7-8-10-21(20)27(24)14-22(29)26-12-18(5)11-19(6)13-26/h7-10,16-19H,11-15H2,1-6H3
InChI Key:
MLFGZIIAZXBDIU-UHFFFAOYSA-N
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.256g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
444.638g/mol
Monoisotopic Mass:
444.256g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
83.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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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