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Home > Fluorides > 381702-30-3
381702-30-3 | 4-(4-Ethoxybenzoyl)-5-(4-fluorophenyl)-1,5-dihydro-3-hydroxy-1-(2-thiazolyl)-2H-pyrrol-2-one
CAS No: 381702-30-3 Catalog No: AG01F30W MDL No:
Product Description
Catalog Number:
AG01F30W
Chemical Name:
4-(4-Ethoxybenzoyl)-5-(4-fluorophenyl)-1,5-dihydro-3-hydroxy-1-(2-thiazolyl)-2H-pyrrol-2-one
CAS Number:
381702-30-3
Molecular Formula:
C22H17FN2O4S
Molecular Weight:
424.4448
IUPAC Name:
(4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
InChI:
InChI=1S/C22H17FN2O4S/c1-2-29-16-9-5-14(6-10-16)19(26)17-18(13-3-7-15(23)8-4-13)25(21(28)20(17)27)22-24-11-12-30-22/h3-12,18,26H,2H2,1H3/b19-17+
InChI Key:
VJQWJYGJIVJGNI-HTXNQAPBSA-N
SMILES:
CCOc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)F)c1nccs1
Properties
Complexity:
687
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
424.089g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
424.446g/mol
Monoisotopic Mass:
424.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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