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332158-02-8 | 2-(5-Pyridin-3-yl-2H-[1,2,4]triazol-3-ylsulfanyl)-N-(2-trifluoromethyl-phenyl)-acetamide
CAS No: 332158-02-8 Catalog No: AG01EV5V MDL No:
Product Description
Catalog Number:
AG01EV5V
Chemical Name:
2-(5-Pyridin-3-yl-2H-[1,2,4]triazol-3-ylsulfanyl)-N-(2-trifluoromethyl-phenyl)-acetamide
CAS Number:
332158-02-8
Molecular Formula:
C16H12F3N5OS
Molecular Weight:
379.3596
IUPAC Name:
2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
InChI:
InChI=1S/C16H12F3N5OS/c17-16(18,19)11-5-1-2-6-12(11)21-13(25)9-26-15-22-14(23-24-15)10-4-3-7-20-8-10/h1-8H,9H2,(H,21,25)(H,22,23,24)
InChI Key:
QAKVSGIGUAAGCN-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1C(F)(F)F)CSc1[nH]nc(n1)c1cccnc1
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.071g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
379.361g/mol
Monoisotopic Mass:
379.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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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