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Home > Imidazoles > 606110-41-2
606110-41-2 | Acetamide, 2-[[1-[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]-1H-benzimidazol-2-yl]thio]-N-(2-furanylmethyl)- (9CI)
CAS No: 606110-41-2 Catalog No: AG00EMHY MDL No:
Product Description
Catalog Number:
AG00EMHY
Chemical Name:
Acetamide, 2-[[1-[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]-1H-benzimidazol-2-yl]thio]-N-(2-furanylmethyl)- (9CI)
CAS Number:
606110-41-2
IUPAC Name:
2-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
InChI:
InChI=1S/C23H28N4O3S/c1-16-7-5-8-17(2)27(16)22(29)14-26-20-11-4-3-10-19(20)25-23(26)31-15-21(28)24-13-18-9-6-12-30-18/h3-4,6,9-12,16-17H,5,7-8,13-15H2,1-2H3,(H,24,28)
InChI Key:
QRAGJHDZIPZQJW-UHFFFAOYSA-N
Properties
Complexity:
626
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.188g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
440.562g/mol
Monoisotopic Mass:
440.188g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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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