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334503-94-5 | 2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-phenyl-acetamide
CAS No: 334503-94-5 Catalog No: AG01EVFY MDL No:
Product Description
Catalog Number:
AG01EVFY
Chemical Name:
2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-phenyl-acetamide
CAS Number:
334503-94-5
Molecular Formula:
C16H12BrN3O2S
Molecular Weight:
390.2544
IUPAC Name:
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
InChI:
InChI=1S/C16H12BrN3O2S/c17-13-9-5-4-8-12(13)15-19-20-16(22-15)23-10-14(21)18-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)
InChI Key:
COJMOAWFCQSCGA-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)CSc1nnc(o1)c1ccccc1Br
Properties
Complexity:
396
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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