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332922-75-5 | 2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(2,6-diethyl-phenyl)-acetamide
CAS No: 332922-75-5 Catalog No: AG01EVDF MDL No:
Product Description
Catalog Number:
AG01EVDF
Chemical Name:
2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(2,6-diethyl-phenyl)-acetamide
CAS Number:
332922-75-5
Molecular Formula:
C20H20BrN3O2S
Molecular Weight:
446.3607
IUPAC Name:
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-diethylphenyl)acetamide
InChI:
InChI=1S/C20H20BrN3O2S/c1-3-13-8-7-9-14(4-2)18(13)22-17(25)12-27-20-24-23-19(26-20)15-10-5-6-11-16(15)21/h5-11H,3-4,12H2,1-2H3,(H,22,25)
InChI Key:
MQDIDVFWYRSCFX-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1NC(=O)CSc1nnc(o1)c1ccccc1Br)CC
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.046g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
446.363g/mol
Monoisotopic Mass:
445.046g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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