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131540-88-0 | 1,2-Benzisothiazole, 3-(1-piperazinyl)-, 1,1-dioxide
CAS No: 131540-88-0 Catalog No: AG000ZDV MDL No:MFCD01442091
Product Description
Catalog Number:
AG000ZDV
Chemical Name:
1,2-Benzisothiazole, 3-(1-piperazinyl)-, 1,1-dioxide
CAS Number:
131540-88-0
Molecular Formula:
C11H13N3O2S
Molecular Weight:
251.3048
MDL Number:
MFCD01442091
IUPAC Name:
3-piperazin-1-yl-1,2-benzothiazole 1,1-dioxide
InChI:
InChI=1S/C11H13N3O2S/c15-17(16)10-4-2-1-3-9(10)11(13-17)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChI Key:
JPBXIPJNXUMSSQ-UHFFFAOYSA-N
SMILES:
O=S1(=O)N=C(c2c1cccc2)N1CCNCC1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.304g/mol
Monoisotopic Mass:
251.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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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