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332127-33-0 | 2-(5-Benzyl-2H-[1,2,4]triazol-3-ylsulfanyl)-N-(2-bromo-phenyl)-acetamide
CAS No: 332127-33-0 Catalog No: AG01EV3O MDL No:
Product Description
Catalog Number:
AG01EV3O
Chemical Name:
2-(5-Benzyl-2H-[1,2,4]triazol-3-ylsulfanyl)-N-(2-bromo-phenyl)-acetamide
CAS Number:
332127-33-0
Molecular Formula:
C17H15BrN4OS
Molecular Weight:
403.2962
IUPAC Name:
2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromophenyl)acetamide
InChI:
InChI=1S/C17H15BrN4OS/c18-13-8-4-5-9-14(13)19-16(23)11-24-17-20-15(21-22-17)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,23)(H,20,21,22)
InChI Key:
QQECJWFNUUNTGD-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1Br)CSc1[nH]nc(n1)Cc1ccccc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.015g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
403.298g/mol
Monoisotopic Mass:
402.015g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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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