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336174-46-0 | N-(4-Bromophenyl)-2-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]thio}acetamide
CAS No: 336174-46-0 Catalog No: AG00I6MA MDL No:MFCD00469116
Product Description
Catalog Number:
AG00I6MA
Chemical Name:
N-(4-Bromophenyl)-2-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]thio}acetamide
CAS Number:
336174-46-0
Molecular Formula:
C16H11Br2N3O2S
Molecular Weight:
469.1504
MDL Number:
MFCD00469116
IUPAC Name:
N-(4-bromophenyl)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
InChI:
InChI=1S/C16H11Br2N3O2S/c17-11-4-6-13(7-5-11)19-14(22)9-24-16-21-20-15(23-16)10-2-1-3-12(18)8-10/h1-8H,9H2,(H,19,22)
InChI Key:
GKCNNWAFPQHJIS-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Br)CSc1nnc(o1)c1cccc(c1)Br
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.892g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
469.151g/mol
Monoisotopic Mass:
466.894g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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