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332127-08-9 | N-(2-Bromo-phenyl)-2-[5-(3-bromo-phenyl)-2H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CAS No: 332127-08-9 Catalog No: AG01F3P8 MDL No:
Product Description
Catalog Number:
AG01F3P8
Chemical Name:
N-(2-Bromo-phenyl)-2-[5-(3-bromo-phenyl)-2H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CAS Number:
332127-08-9
Molecular Formula:
C16H12Br2N4OS
Molecular Weight:
468.1657
IUPAC Name:
N-(2-bromophenyl)-2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
InChI:
InChI=1S/C16H12Br2N4OS/c17-11-5-3-4-10(8-11)15-20-16(22-21-15)24-9-14(23)19-13-7-2-1-6-12(13)18/h1-8H,9H2,(H,19,23)(H,20,21,22)
InChI Key:
DTXLPNWLXDXCFJ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1Br)CSc1[nH]nc(n1)c1cccc(c1)Br
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.908g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
468.167g/mol
Monoisotopic Mass:
465.91g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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