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493003-17-1 | 2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(3-chloro-2-methyl-phenyl)-acetamide
CAS No: 493003-17-1 Catalog No: AG01EW5B MDL No:
Product Description
Catalog Number:
AG01EW5B
Chemical Name:
2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(3-chloro-2-methyl-phenyl)-acetamide
CAS Number:
493003-17-1
Molecular Formula:
C17H13BrClN3O2S
Molecular Weight:
438.7260
IUPAC Name:
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
InChI:
InChI=1S/C17H13BrClN3O2S/c1-10-13(19)7-4-8-14(10)20-15(23)9-25-17-22-21-16(24-17)11-5-2-3-6-12(11)18/h2-8H,9H2,1H3,(H,20,23)
InChI Key:
FCOSZIYUBRQYCJ-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1C)Cl)CSc1nnc(o1)c1ccccc1Br
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.96g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
438.724g/mol
Monoisotopic Mass:
436.96g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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