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334503-67-2 | N-(4-Bromo-phenyl)-2-[5-(2-bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-propionamide
CAS No: 334503-67-2 Catalog No: AG01F3JE MDL No:
Product Description
Catalog Number:
AG01F3JE
Chemical Name:
N-(4-Bromo-phenyl)-2-[5-(2-bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-propionamide
CAS Number:
334503-67-2
Molecular Formula:
C17H13Br2N3O2S
Molecular Weight:
483.1770
IUPAC Name:
N-(4-bromophenyl)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
InChI:
InChI=1S/C17H13Br2N3O2S/c1-10(15(23)20-12-8-6-11(18)7-9-12)25-17-22-21-16(24-17)13-4-2-3-5-14(13)19/h2-10H,1H3,(H,20,23)
InChI Key:
ZBDVURZDIWQXBA-UHFFFAOYSA-N
SMILES:
O=C(C(Sc1nnc(o1)c1ccccc1Br)C)Nc1ccc(cc1)Br
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.907g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
483.178g/mol
Monoisotopic Mass:
480.91g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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