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336174-73-3 | 2-[5-(3-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(3,5-dichloro-phenyl)-acetamide
CAS No: 336174-73-3 Catalog No: AG01EVHZ MDL No:
Product Description
Catalog Number:
AG01EVHZ
Chemical Name:
2-[5-(3-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(3,5-dichloro-phenyl)-acetamide
CAS Number:
336174-73-3
Molecular Formula:
C16H10BrCl2N3O2S
Molecular Weight:
459.1445
IUPAC Name:
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dichlorophenyl)acetamide
InChI:
InChI=1S/C16H10BrCl2N3O2S/c17-10-3-1-2-9(4-10)15-21-22-16(24-15)25-8-14(23)20-13-6-11(18)5-12(19)7-13/h1-7H,8H2,(H,20,23)
InChI Key:
JOFSGWBZRSIKAD-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(Cl)cc(c1)Cl)CSc1nnc(o1)c1cccc(c1)Br
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.905g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
459.139g/mol
Monoisotopic Mass:
456.905g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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