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478078-49-8 | N'-(4-methoxybenzenesulfonyl)-3-(pyridin-3-yl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide
CAS No: 478078-49-8 Catalog No: AG00IRY7 MDL No:MFCD02570999
Product Description
Catalog Number:
AG00IRY7
Chemical Name:
N'-(4-methoxybenzenesulfonyl)-3-(pyridin-3-yl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide
CAS Number:
478078-49-8
Molecular Formula:
C16H16N4O5S
Molecular Weight:
376.3870
MDL Number:
MFCD02570999
IUPAC Name:
N'-(4-methoxyphenyl)sulfonyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide
InChI:
InChI=1S/C16H16N4O5S/c1-24-12-4-6-13(7-5-12)26(22,23)20-18-16(21)15-9-14(19-25-15)11-3-2-8-17-10-11/h2-8,10,15,20H,9H2,1H3,(H,18,21)
InChI Key:
SZINLKMKCZGPEH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)NNC(=O)C1ON=C(C1)c1cccnc1
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.084g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.387g/mol
Monoisotopic Mass:
376.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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