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332157-94-5 | N-Phenyl-2-(5-pyridin-3-yl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CAS No: 332157-94-5 Catalog No: AG01F5A4 MDL No:
Product Description
Catalog Number:
AG01F5A4
Chemical Name:
N-Phenyl-2-(5-pyridin-3-yl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CAS Number:
332157-94-5
Molecular Formula:
C15H13N5OS
Molecular Weight:
311.3616
IUPAC Name:
N-phenyl-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
InChI:
InChI=1S/C15H13N5OS/c21-13(17-12-6-2-1-3-7-12)10-22-15-18-14(19-20-15)11-5-4-8-16-9-11/h1-9H,10H2,(H,17,21)(H,18,19,20)
InChI Key:
HPEIJTCNFVAYEW-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)CSc1[nH]nc(n1)c1cccnc1
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.363g/mol
Monoisotopic Mass:
311.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^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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