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332388-13-3 | 2-[5-(2-Bromo-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-phenyl-acetamide
CAS No: 332388-13-3 Catalog No: AG01EVAX MDL No:
Product Description
Catalog Number:
AG01EVAX
Chemical Name:
2-[5-(2-Bromo-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-phenyl-acetamide
CAS Number:
332388-13-3
Molecular Formula:
C22H17BrN4OS
Molecular Weight:
465.3656
IUPAC Name:
2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
InChI:
InChI=1S/C22H17BrN4OS/c23-19-14-8-7-13-18(19)21-25-26-22(27(21)17-11-5-2-6-12-17)29-15-20(28)24-16-9-3-1-4-10-16/h1-14H,15H2,(H,24,28)
InChI Key:
RHISAMVNBSEAFA-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)CSc1nnc(n1c1ccccc1)c1ccccc1Br
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.031g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
465.369g/mol
Monoisotopic Mass:
464.031g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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