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Home > Pyridines > 554405-57-1
554405-57-1 | 4-methoxy-3-{methyl[2-(pyridin-3-yl)ethyl]sulfamoyl}benzoic acid
CAS No: 554405-57-1 Catalog No: AG019GOD MDL No:MFCD03966885
Product Description
Catalog Number:
AG019GOD
Chemical Name:
4-methoxy-3-{methyl[2-(pyridin-3-yl)ethyl]sulfamoyl}benzoic acid
CAS Number:
554405-57-1
Molecular Formula:
C16H18N2O5S
Molecular Weight:
350.3895
MDL Number:
MFCD03966885
IUPAC Name:
4-methoxy-3-[methyl(2-pyridin-3-ylethyl)sulfamoyl]benzoic acid
InChI:
InChI=1S/C16H18N2O5S/c1-18(9-7-12-4-3-8-17-11-12)24(21,22)15-10-13(16(19)20)5-6-14(15)23-2/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,20)
InChI Key:
RQNJQLWJKRZYFG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)N(CCc1cccnc1)C)C(=O)O
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.094g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.389g/mol
Monoisotopic Mass:
350.094g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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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