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332158-01-7 | N-(4-Acetyl-phenyl)-2-(5-pyridin-3-yl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CAS No: 332158-01-7 Catalog No: AG01F40T MDL No:
Product Description
Catalog Number:
AG01F40T
Chemical Name:
N-(4-Acetyl-phenyl)-2-(5-pyridin-3-yl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CAS Number:
332158-01-7
Molecular Formula:
C17H15N5O2S
Molecular Weight:
353.3983
IUPAC Name:
N-(4-acetylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
InChI:
InChI=1S/C17H15N5O2S/c1-11(23)12-4-6-14(7-5-12)19-15(24)10-25-17-20-16(21-22-17)13-3-2-8-18-9-13/h2-9H,10H2,1H3,(H,19,24)(H,20,21,22)
InChI Key:
MCUFGUXPXGPLMP-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)C(=O)C)CSc1[nH]nc(n1)c1cccnc1
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.095g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
353.4g/mol
Monoisotopic Mass:
353.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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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