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Home > Pyridines > 748776-35-4
748776-35-4 | 4-methoxy-3-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}benzoic acid
CAS No: 748776-35-4 Catalog No: AG019GOO MDL No:MFCD03653046
Product Description
Catalog Number:
AG019GOO
Chemical Name:
4-methoxy-3-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}benzoic acid
CAS Number:
748776-35-4
Molecular Formula:
C17H19N3O5S
Molecular Weight:
377.4149
MDL Number:
MFCD03653046
IUPAC Name:
4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid
InChI:
InChI=1S/C17H19N3O5S/c1-25-14-6-5-13(17(21)22)12-15(14)26(23,24)20-10-8-19(9-11-20)16-4-2-3-7-18-16/h2-7,12H,8-11H2,1H3,(H,21,22)
InChI Key:
AWDBPBCRHQVNHE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)N1CCN(CC1)c1ccccn1)C(=O)O
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.105g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
377.415g/mol
Monoisotopic Mass:
377.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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