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606082-34-2 | Benzoic acid, 4-[[4-(2-benzothiazolyl)-1-piperidinyl]sulfonyl]-, methyl ester (9CI)
CAS No: 606082-34-2 Catalog No: AG00EO9D MDL No:
Product Description
Catalog Number:
AG00EO9D
Chemical Name:
Benzoic acid, 4-[[4-(2-benzothiazolyl)-1-piperidinyl]sulfonyl]-, methyl ester (9CI)
CAS Number:
606082-34-2
IUPAC Name:
methyl 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzoate
InChI:
InChI=1S/C20H20N2O4S2/c1-26-20(23)15-6-8-16(9-7-15)28(24,25)22-12-10-14(11-13-22)19-21-17-4-2-3-5-18(17)27-19/h2-9,14H,10-13H2,1H3
InChI Key:
VCDFROSHKQIPOY-UHFFFAOYSA-N
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.086g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.51g/mol
Monoisotopic Mass:
416.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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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