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332161-90-7 | 2-[5-(4-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-ethoxy-phenyl)-acetamide
CAS No: 332161-90-7 Catalog No: AG01EV6F MDL No:
Product Description
Catalog Number:
AG01EV6F
Chemical Name:
2-[5-(4-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-ethoxy-phenyl)-acetamide
CAS Number:
332161-90-7
Molecular Formula:
C18H16BrN3O3S
Molecular Weight:
434.3069
IUPAC Name:
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
InChI:
InChI=1S/C18H16BrN3O3S/c1-2-24-15-9-7-14(8-10-15)20-16(23)11-26-18-22-21-17(25-18)12-3-5-13(19)6-4-12/h3-10H,2,11H2,1H3,(H,20,23)
InChI Key:
ASHIHXGKXYFAHS-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)NC(=O)CSc1nnc(o1)c1ccc(cc1)Br
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.01g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
434.308g/mol
Monoisotopic Mass:
433.01g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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