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332154-67-3 | 2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-phenoxy-phenyl)-acetamide
CAS No: 332154-67-3 Catalog No: AG01EV4E MDL No:
Product Description
Catalog Number:
AG01EV4E
Chemical Name:
2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-phenoxy-phenyl)-acetamide
CAS Number:
332154-67-3
Molecular Formula:
C22H16BrN3O3S
Molecular Weight:
482.3497
IUPAC Name:
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
InChI:
InChI=1S/C22H16BrN3O3S/c23-19-9-5-4-8-18(19)21-25-26-22(29-21)30-14-20(27)24-15-10-12-17(13-11-15)28-16-6-2-1-3-7-16/h1-13H,14H2,(H,24,27)
InChI Key:
MYYGELIRFBQTFA-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Oc1ccccc1)CSc1nnc(o1)c1ccccc1Br
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.01g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
482.352g/mol
Monoisotopic Mass:
481.01g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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