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334497-46-0 | N-(2,3-Dimethyl-phenyl)-2-[5-(4-fluoro-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CAS No: 334497-46-0 Catalog No: AG01F3BA MDL No:
Product Description
Catalog Number:
AG01F3BA
Chemical Name:
N-(2,3-Dimethyl-phenyl)-2-[5-(4-fluoro-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CAS Number:
334497-46-0
Molecular Formula:
C18H16FN3O2S
Molecular Weight:
357.4019
IUPAC Name:
N-(2,3-dimethylphenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
InChI:
InChI=1S/C18H16FN3O2S/c1-11-4-3-5-15(12(11)2)20-16(23)10-25-18-22-21-17(24-18)13-6-8-14(19)9-7-13/h3-9H,10H2,1-2H3,(H,20,23)
InChI Key:
PHWFRYQVPKTYMS-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1C)C)CSc1nnc(o1)c1ccc(cc1)F
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.095g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.403g/mol
Monoisotopic Mass:
357.095g/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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