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332158-09-5 | N-(4-Bromo-phenyl)-2-(5-p-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CAS No: 332158-09-5 Catalog No: AG01F4RA MDL No:
Product Description
Catalog Number:
AG01F4RA
Chemical Name:
N-(4-Bromo-phenyl)-2-(5-p-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CAS Number:
332158-09-5
Molecular Formula:
C17H14BrN3O2S
Molecular Weight:
404.2810
IUPAC Name:
N-(4-bromophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
InChI:
InChI=1S/C17H14BrN3O2S/c1-11-2-4-12(5-3-11)16-20-21-17(23-16)24-10-15(22)19-14-8-6-13(18)7-9-14/h2-9H,10H2,1H3,(H,19,22)
InChI Key:
IMANUPULLFWDLM-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Br)CSc1nnc(o1)c1ccc(cc1)C
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.999g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.282g/mol
Monoisotopic Mass:
402.999g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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