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Home > Pyridines > 337488-83-2
337488-83-2 | N-(2,5-Dimethoxy-phenyl)-2-(5-pyridin-3-yl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CAS No: 337488-83-2 Catalog No: AG01F3JG MDL No:
Product Description
Catalog Number:
AG01F3JG
Chemical Name:
N-(2,5-Dimethoxy-phenyl)-2-(5-pyridin-3-yl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CAS Number:
337488-83-2
Molecular Formula:
C17H17N5O3S
Molecular Weight:
371.4136
IUPAC Name:
N-(2,5-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
InChI:
InChI=1S/C17H17N5O3S/c1-24-12-5-6-14(25-2)13(8-12)19-15(23)10-26-17-20-16(21-22-17)11-4-3-7-18-9-11/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)
InChI Key:
FIFZVZJRQUJEKS-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)NC(=O)CSc1[nH]nc(n1)c1cccnc1)OC
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.105g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
371.415g/mol
Monoisotopic Mass:
371.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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