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199339-13-4 | 4(5H)-Thiazolone, 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-
CAS No: 199339-13-4 Catalog No: AG002C2T MDL No:
Product Description
Catalog Number:
AG002C2T
Chemical Name:
4(5H)-Thiazolone, 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-
CAS Number:
199339-13-4
Molecular Formula:
C17H11FN4O2S
Molecular Weight:
354.3582
IUPAC Name:
(2E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-phenyl-1,3-thiazolidin-4-one
InChI:
InChI=1S/C17H11FN4O2S/c18-12-8-6-11(7-9-12)15-21-22-16(24-15)20-17-19-14(23)13(25-17)10-4-2-1-3-5-10/h1-9,13H,(H,19,20,22,23)
InChI Key:
WOOLGDVOKSJPOA-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1nnc(o1)NC1=NC(=O)C(S1)c1ccccc1
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
354.059g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.359g/mol
Monoisotopic Mass:
354.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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