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303987-10-2 | 2-(3,4-dimethoxybenzenesulfonyl)-3-phenyl-2,5-dihydro-1,2-oxazol-5-one
CAS No: 303987-10-2 Catalog No: AG00INMZ MDL No:MFCD01568230
Product Description
Catalog Number:
AG00INMZ
Chemical Name:
2-(3,4-dimethoxybenzenesulfonyl)-3-phenyl-2,5-dihydro-1,2-oxazol-5-one
CAS Number:
303987-10-2
Molecular Formula:
C17H15NO6S
Molecular Weight:
361.3691
MDL Number:
MFCD01568230
IUPAC Name:
2-(3,4-dimethoxyphenyl)sulfonyl-3-phenyl-1,2-oxazol-5-one
InChI:
InChI=1S/C17H15NO6S/c1-22-15-9-8-13(10-16(15)23-2)25(20,21)18-14(11-17(19)24-18)12-6-4-3-5-7-12/h3-11H,1-2H3
InChI Key:
BDHMMUHXZTUZSA-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)S(=O)(=O)n1oc(=O)cc1c1ccccc1
Properties
Complexity:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.062g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.368g/mol
Monoisotopic Mass:
361.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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