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339016-95-4 | 2,5-dimethoxy-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzene-1-sulfonamide
CAS No: 339016-95-4 Catalog No: AG00IVKP MDL No:MFCD01315742
Product Description
Catalog Number:
AG00IVKP
Chemical Name:
2,5-dimethoxy-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzene-1-sulfonamide
CAS Number:
339016-95-4
Molecular Formula:
C18H18N2O5S
Molecular Weight:
374.4109
MDL Number:
MFCD01315742
IUPAC Name:
2,5-dimethoxy-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
InChI:
InChI=1S/C18H18N2O5S/c1-23-14-8-9-17(24-2)18(11-14)26(21,22)19-12-15-10-16(20-25-15)13-6-4-3-5-7-13/h3-11,19H,12H2,1-2H3
InChI Key:
ZQBYMXVAIVCLRF-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)S(=O)(=O)NCc1onc(c1)c1ccccc1)OC
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.094g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.411g/mol
Monoisotopic Mass:
374.094g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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