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332114-86-0 | 2-[5-(4-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(2,6-dimethyl-phenyl)-acetamide
CAS No: 332114-86-0 Catalog No: AG01EV3B MDL No:
Product Description
Catalog Number:
AG01EV3B
Chemical Name:
2-[5-(4-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(2,6-dimethyl-phenyl)-acetamide
CAS Number:
332114-86-0
Molecular Formula:
C18H16BrN3O2S
Molecular Weight:
418.3075
IUPAC Name:
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide
InChI:
InChI=1S/C18H16BrN3O2S/c1-11-4-3-5-12(2)16(11)20-15(23)10-25-18-22-21-17(24-18)13-6-8-14(19)9-7-13/h3-9H,10H2,1-2H3,(H,20,23)
InChI Key:
HIIILYGJEPEGQA-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(C)cccc1C)CSc1nnc(o1)c1ccc(cc1)Br
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.015g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
418.309g/mol
Monoisotopic Mass:
417.015g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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