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Home > Fluorides > 329080-16-2
329080-16-2 | 2-(5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-N-(3-trifluoromethyl-phenyl)-acetamide
CAS No: 329080-16-2 Catalog No: AG01EUYC MDL No:
Product Description
Catalog Number:
AG01EUYC
Chemical Name:
2-(5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-N-(3-trifluoromethyl-phenyl)-acetamide
CAS Number:
329080-16-2
Molecular Formula:
C17H12F3N3O2S
Molecular Weight:
379.3563
IUPAC Name:
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
InChI:
InChI=1S/C17H12F3N3O2S/c18-17(19,20)12-7-4-8-13(9-12)21-14(24)10-26-16-23-22-15(25-16)11-5-2-1-3-6-11/h1-9H,10H2,(H,21,24)
InChI Key:
QLFJYEKMXLFQJM-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc(o1)c1ccccc1
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.06g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.357g/mol
Monoisotopic Mass:
379.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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