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606109-29-9 | 1H-Benzimidazole-1-acetamide,N-cyclopentyl-2-[[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-(9CI)
CAS No: 606109-29-9 Catalog No: AG00EWGZ MDL No:
Product Description
Catalog Number:
AG00EWGZ
Chemical Name:
1H-Benzimidazole-1-acetamide,N-cyclopentyl-2-[[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-(9CI)
CAS Number:
606109-29-9
IUPAC Name:
N-cyclopentyl-2-[2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
InChI:
InChI=1S/C23H32N4O2S/c1-16-8-7-9-17(2)27(16)22(29)15-30-23-25-19-12-5-6-13-20(19)26(23)14-21(28)24-18-10-3-4-11-18/h5-6,12-13,16-18H,3-4,7-11,14-15H2,1-2H3,(H,24,28)
InChI Key:
ATARRUBNVODZFA-UHFFFAOYSA-N
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.225g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
428.595g/mol
Monoisotopic Mass:
428.225g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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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