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332127-11-4 | 2-[5-(3-Bromo-phenyl)-2H-[1,2,4]triazol-3-ylsulfanyl]-N-(3-chloro-phenyl)-acetamide
CAS No: 332127-11-4 Catalog No: AG01EV3J MDL No:
Product Description
Catalog Number:
AG01EV3J
Chemical Name:
2-[5-(3-Bromo-phenyl)-2H-[1,2,4]triazol-3-ylsulfanyl]-N-(3-chloro-phenyl)-acetamide
CAS Number:
332127-11-4
Molecular Formula:
C16H12BrClN4OS
Molecular Weight:
423.7147
IUPAC Name:
2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
InChI:
InChI=1S/C16H12BrClN4OS/c17-11-4-1-3-10(7-11)15-20-16(22-21-15)24-9-14(23)19-13-6-2-5-12(18)8-13/h1-8H,9H2,(H,19,23)(H,20,21,22)
InChI Key:
XKHVIPRODLEFNS-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)Cl)CSc1[nH]nc(n1)c1cccc(c1)Br
Properties
Complexity:
433
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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