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332161-53-2 | 2-[5-(4-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N,N-diphenyl-acetamide
CAS No: 332161-53-2 Catalog No: AG01EV6C MDL No:
Product Description
Catalog Number:
AG01EV6C
Chemical Name:
2-[5-(4-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N,N-diphenyl-acetamide
CAS Number:
332161-53-2
Molecular Formula:
C22H16BrN3O2S
Molecular Weight:
466.3503
IUPAC Name:
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diphenylacetamide
InChI:
InChI=1S/C22H16BrN3O2S/c23-17-13-11-16(12-14-17)21-24-25-22(28-21)29-15-20(27)26(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2
InChI Key:
CEKPEYRYTZXVGQ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nnc(o1)SCC(=O)N(c1ccccc1)c1ccccc1
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.015g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
466.353g/mol
Monoisotopic Mass:
465.015g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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