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332385-31-6 | N-Phenyl-2-(4-phenyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CAS No: 332385-31-6 Catalog No: AG01F47O MDL No:
Product Description
Catalog Number:
AG01F47O
Chemical Name:
N-Phenyl-2-(4-phenyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CAS Number:
332385-31-6
Molecular Formula:
C21H17N5OS
Molecular Weight:
387.4576
IUPAC Name:
N-phenyl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
InChI:
InChI=1S/C21H17N5OS/c27-19(23-17-9-3-1-4-10-17)15-28-21-25-24-20(16-8-7-13-22-14-16)26(21)18-11-5-2-6-12-18/h1-14H,15H2,(H,23,27)
InChI Key:
DBDZIIKDPYLKRZ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)CSc1nnc(n1c1ccccc1)c1cccnc1
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.115g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
387.461g/mol
Monoisotopic Mass:
387.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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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