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220597-89-7 | 2-(5-Benzyl-[1,3,4]oxadiazol-2-ylsulfanyl)-N-(4-bromo-phenyl)-acetamide
CAS No: 220597-89-7 Catalog No: AG01EUJN MDL No:
Product Description
Catalog Number:
AG01EUJN
Chemical Name:
2-(5-Benzyl-[1,3,4]oxadiazol-2-ylsulfanyl)-N-(4-bromo-phenyl)-acetamide
CAS Number:
220597-89-7
Molecular Formula:
C17H14BrN3O2S
Molecular Weight:
404.2810
IUPAC Name:
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide
InChI:
InChI=1S/C17H14BrN3O2S/c18-13-6-8-14(9-7-13)19-15(22)11-24-17-21-20-16(23-17)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,22)
InChI Key:
CLBCWECYHFOUHF-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Br)CSc1nnc(o1)Cc1ccccc1
Properties
Complexity:
401
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:
6
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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