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332128-25-3 | 2-[5-(3-Bromo-phenyl)-2H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-chloro-phenyl)-acetamide
CAS No: 332128-25-3 Catalog No: AG01EV4A MDL No:
Product Description
Catalog Number:
AG01EV4A
Chemical Name:
2-[5-(3-Bromo-phenyl)-2H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-chloro-phenyl)-acetamide
CAS Number:
332128-25-3
Molecular Formula:
C16H12BrClN4OS
Molecular Weight:
423.7147
IUPAC Name:
2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chlorophenyl)acetamide
InChI:
InChI=1S/C16H12BrClN4OS/c17-11-3-1-2-10(8-11)15-20-16(22-21-15)24-9-14(23)19-13-6-4-12(18)5-7-13/h1-8H,9H2,(H,19,23)(H,20,21,22)
InChI Key:
BOWKUWFOQNGBPY-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Cl)CSc1[nH]nc(n1)c1cccc(c1)Br
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.96g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
423.713g/mol
Monoisotopic Mass:
421.96g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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