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313362-28-6 | 5-[[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-(1-methylethyl)-2-thioxo-4-thiazolidinone
CAS No: 313362-28-6 Catalog No: AG01F2OD MDL No:
Product Description
Catalog Number:
AG01F2OD
Chemical Name:
5-[[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-(1-methylethyl)-2-thioxo-4-thiazolidinone
CAS Number:
313362-28-6
Molecular Formula:
C22H18FN3OS2
Molecular Weight:
423.5262
IUPAC Name:
(5Z)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C22H18FN3OS2/c1-14(2)26-21(27)19(29-22(26)28)12-16-13-25(18-6-4-3-5-7-18)24-20(16)15-8-10-17(23)11-9-15/h3-14H,1-2H3/b19-12-
InChI Key:
RAVCGFIAIJFNBI-UNOMPAQXSA-N
SMILES:
Fc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C(C)C)c1ccccc1
Properties
Complexity:
656
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
423.088g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
423.524g/mol
Monoisotopic Mass:
423.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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