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866043-22-3 | 3-(3-methyl-1,2-oxazol-5-yl)-1-(4-methylbenzenesulfonyl)urea
CAS No: 866043-22-3 Catalog No: AG00ITN5 MDL No:MFCD05670661
Product Description
Catalog Number:
AG00ITN5
Chemical Name:
3-(3-methyl-1,2-oxazol-5-yl)-1-(4-methylbenzenesulfonyl)urea
CAS Number:
866043-22-3
Molecular Formula:
C12H13N3O4S
Molecular Weight:
295.3143
MDL Number:
MFCD05670661
IUPAC Name:
1-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)sulfonylurea
InChI:
InChI=1S/C12H13N3O4S/c1-8-3-5-10(6-4-8)20(17,18)15-12(16)13-11-7-9(2)14-19-11/h3-7H,1-2H3,(H2,13,15,16)
InChI Key:
DNZQFHFUVRGPNA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1onc(c1)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.063g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.313g/mol
Monoisotopic Mass:
295.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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