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604772-31-8 | Acetamide, 2-[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-methyl-3-isoxazolyl)- (9CI)
CAS No: 604772-31-8 Catalog No: AG00EMC5 MDL No:
Product Description
Catalog Number:
AG00EMC5
Chemical Name:
Acetamide, 2-[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-methyl-3-isoxazolyl)- (9CI)
CAS Number:
604772-31-8
IUPAC Name:
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
InChI:
InChI=1S/C12H15N5O2S/c1-7-5-9(16-19-7)13-10(18)6-20-12-15-14-11(17(12)2)8-3-4-8/h5,8H,3-4,6H2,1-2H3,(H,13,16,18)
InChI Key:
PAIUZIYVZUCLDU-UHFFFAOYSA-N
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.345g/mol
Monoisotopic Mass:
293.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
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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