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Home > Imidazoles > 606110-02-5
606110-02-5 | Acetamide, N-(1,1-dimethylethyl)-2-[[1-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-1H-benzimidazol-2-yl]thio]- (9CI)
CAS No: 606110-02-5 Catalog No: AG00EMAF MDL No:
Product Description
Catalog Number:
AG00EMAF
Chemical Name:
Acetamide, N-(1,1-dimethylethyl)-2-[[1-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-1H-benzimidazol-2-yl]thio]- (9CI)
CAS Number:
606110-02-5
IUPAC Name:
N-tert-butyl-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]sulfanylacetamide
InChI:
InChI=1S/C21H30N4O2S/c1-15-9-11-24(12-10-15)19(27)13-25-17-8-6-5-7-16(17)22-20(25)28-14-18(26)23-21(2,3)4/h5-8,15H,9-14H2,1-4H3,(H,23,26)
InChI Key:
WZLQURWDOVQBER-UHFFFAOYSA-N
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.209g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.557g/mol
Monoisotopic Mass:
402.209g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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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