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303987-11-3 | 2-(4-methoxybenzenesulfonyl)-3-phenyl-2,5-dihydro-1,2-oxazol-5-one
CAS No: 303987-11-3 Catalog No: AG00INN0 MDL No:MFCD01315598
Product Description
Catalog Number:
AG00INN0
Chemical Name:
2-(4-methoxybenzenesulfonyl)-3-phenyl-2,5-dihydro-1,2-oxazol-5-one
CAS Number:
303987-11-3
Molecular Formula:
C16H13NO5S
Molecular Weight:
331.3431
MDL Number:
MFCD01315598
IUPAC Name:
2-(4-methoxyphenyl)sulfonyl-3-phenyl-1,2-oxazol-5-one
InChI:
InChI=1S/C16H13NO5S/c1-21-13-7-9-14(10-8-13)23(19,20)17-15(11-16(18)22-17)12-5-3-2-4-6-12/h2-11H,1H3
InChI Key:
ZOXXBIKRRREKEJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)n1oc(=O)cc1c1ccccc1
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.051g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.342g/mol
Monoisotopic Mass:
331.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.3A^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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