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500212-15-7 | N-(4-Bromo-phenyl)-2-[5-(2-bromo-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CAS No: 500212-15-7 Catalog No: AG01F32L MDL No:
Product Description
Catalog Number:
AG01F32L
Chemical Name:
N-(4-Bromo-phenyl)-2-[5-(2-bromo-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CAS Number:
500212-15-7
Molecular Formula:
C17H14Br2N4OS
Molecular Weight:
482.1923
IUPAC Name:
N-(4-bromophenyl)-2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
InChI:
InChI=1S/C17H14Br2N4OS/c1-23-16(13-4-2-3-5-14(13)19)21-22-17(23)25-10-15(24)20-12-8-6-11(18)7-9-12/h2-9H,10H2,1H3,(H,20,24)
InChI Key:
YVYSCYZOAACFMS-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Br)CSc1nnc(n1C)c1ccccc1Br
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.923g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
482.194g/mol
Monoisotopic Mass:
479.926g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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