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332154-90-2 | 2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(5-chloro-2-methoxy-phenyl)-acetamide
CAS No: 332154-90-2 Catalog No: AG01EV4K MDL No:
Product Description
Catalog Number:
AG01EV4K
Chemical Name:
2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(5-chloro-2-methoxy-phenyl)-acetamide
CAS Number:
332154-90-2
Molecular Formula:
C17H13BrClN3O3S
Molecular Weight:
454.7254
IUPAC Name:
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
InChI:
InChI=1S/C17H13BrClN3O3S/c1-24-14-7-6-10(19)8-13(14)20-15(23)9-26-17-22-21-16(25-17)11-4-2-3-5-12(11)18/h2-8H,9H2,1H3,(H,20,23)
InChI Key:
ZJNDALVRYAZIIA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1NC(=O)CSc1nnc(o1)c1ccccc1Br)Cl
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.955g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
454.723g/mol
Monoisotopic Mass:
452.955g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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