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337490-49-0 | 2-(5-m-Tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-N-(3-trifluoromethyl-phenyl)-acetamide
CAS No: 337490-49-0 Catalog No: AG01EVJ4 MDL No:
Product Description
Catalog Number:
AG01EVJ4
Chemical Name:
2-(5-m-Tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-N-(3-trifluoromethyl-phenyl)-acetamide
CAS Number:
337490-49-0
Molecular Formula:
C18H14F3N3O2S
Molecular Weight:
393.3829
IUPAC Name:
2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
InChI:
InChI=1S/C18H14F3N3O2S/c1-11-4-2-5-12(8-11)16-23-24-17(26-16)27-10-15(25)22-14-7-3-6-13(9-14)18(19,20)21/h2-9H,10H2,1H3,(H,22,25)
InChI Key:
QUXGIEAJPOWHCA-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc(o1)c1cccc(c1)C
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.076g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
393.384g/mol
Monoisotopic Mass:
393.076g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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