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113546-64-8 | Ethanone, 2-(2-benzoxazolylthio)-1-(3,5-dimethyl-1H-pyrazol-1-yl)-
CAS No: 113546-64-8 Catalog No: AG0008YH MDL No:
Product Description
Catalog Number:
AG0008YH
Chemical Name:
Ethanone, 2-(2-benzoxazolylthio)-1-(3,5-dimethyl-1H-pyrazol-1-yl)-
CAS Number:
113546-64-8
Molecular Formula:
C14H13N3O2S
Molecular Weight:
287.3369
IUPAC Name:
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(3,5-dimethylpyrazol-1-yl)ethanone
InChI:
InChI=1S/C14H13N3O2S/c1-9-7-10(2)17(16-9)13(18)8-20-14-15-11-5-3-4-6-12(11)19-14/h3-7H,8H2,1-2H3
InChI Key:
CLJVWENMJSPRNG-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C)C(=O)CSc1nc2c(o1)cccc2
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.337g/mol
Monoisotopic Mass:
287.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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