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336174-67-5 | 2-[5-(3-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-methoxy-phenyl)-acetamide
CAS No: 336174-67-5 Catalog No: AG01EVHY MDL No:
Product Description
Catalog Number:
AG01EVHY
Chemical Name:
2-[5-(3-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-methoxy-phenyl)-acetamide
CAS Number:
336174-67-5
Molecular Formula:
C17H14BrN3O3S
Molecular Weight:
420.2804
IUPAC Name:
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
InChI:
InChI=1S/C17H14BrN3O3S/c1-23-14-7-5-13(6-8-14)19-15(22)10-25-17-21-20-16(24-17)11-3-2-4-12(18)9-11/h2-9H,10H2,1H3,(H,19,22)
InChI Key:
ZERQQOMQXKGDKJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=O)CSc1nnc(o1)c1cccc(c1)Br
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.994g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
420.281g/mol
Monoisotopic Mass:
418.994g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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