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332170-99-7 | 2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(2-trifluoromethyl-phenyl)-acetamide
CAS No: 332170-99-7 Catalog No: AG01EV71 MDL No:
Product Description
Catalog Number:
AG01EV71
Chemical Name:
2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(2-trifluoromethyl-phenyl)-acetamide
CAS Number:
332170-99-7
Molecular Formula:
C17H11BrF3N3O2S
Molecular Weight:
458.2523
IUPAC Name:
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
InChI:
InChI=1S/C17H11BrF3N3O2S/c18-12-7-3-1-5-10(12)15-23-24-16(26-15)27-9-14(25)22-13-8-4-2-6-11(13)17(19,20)21/h1-8H,9H2,(H,22,25)
InChI Key:
VNGPOWUDJDIAEQ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1C(F)(F)F)CSc1nnc(o1)c1ccccc1Br
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.971g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
458.253g/mol
Monoisotopic Mass:
456.971g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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