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81511-64-0 | N-(4-Bromo-phenyl)-2-(5-phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CAS No: 81511-64-0 Catalog No: AG01F4W9 MDL No:
Product Description
Catalog Number:
AG01F4W9
Chemical Name:
N-(4-Bromo-phenyl)-2-(5-phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CAS Number:
81511-64-0
Molecular Formula:
C16H12BrN3O2S
Molecular Weight:
390.2544
IUPAC Name:
N-(4-bromophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
InChI:
InChI=1S/C16H12BrN3O2S/c17-12-6-8-13(9-7-12)18-14(21)10-23-16-20-19-15(22-16)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,21)
InChI Key:
UCHJUCGRNABYDS-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Br)CSc1nnc(o1)c1ccccc1
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.983g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.255g/mol
Monoisotopic Mass:
388.983g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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