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332388-18-8 | 2-[5-(2-Bromo-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-p-tolyl-acetamide
CAS No: 332388-18-8 Catalog No: AG01EVB1 MDL No:
Product Description
Catalog Number:
AG01EVB1
Chemical Name:
2-[5-(2-Bromo-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-p-tolyl-acetamide
CAS Number:
332388-18-8
Molecular Formula:
C23H19BrN4OS
Molecular Weight:
479.3922
IUPAC Name:
2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
InChI:
InChI=1S/C23H19BrN4OS/c1-16-11-13-17(14-12-16)25-21(29)15-30-23-27-26-22(19-9-5-6-10-20(19)24)28(23)18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,25,29)
InChI Key:
OLRUXBDYVXNFRH-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)C)CSc1nnc(n1c1ccccc1)c1ccccc1Br
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
478.046g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
479.396g/mol
Monoisotopic Mass:
478.046g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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