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313273-20-0 | (5Z)-5-{[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(3-methoxypropyl)-2-thioxo-1,3-thiazolidin-4-one
CAS No: 313273-20-0 Catalog No: AG01EUVC MDL No:MFCD01955253
Product Description
Catalog Number:
AG01EUVC
Chemical Name:
(5Z)-5-{[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(3-methoxypropyl)-2-thioxo-1,3-thiazolidin-4-one
CAS Number:
313273-20-0
Molecular Formula:
C23H20FN3O2S2
Molecular Weight:
453.5522
MDL Number:
MFCD01955253
IUPAC Name:
(5Z)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C23H20FN3O2S2/c1-29-13-5-12-26-22(28)20(31-23(26)30)14-17-15-27(19-6-3-2-4-7-19)25-21(17)16-8-10-18(24)11-9-16/h2-4,6-11,14-15H,5,12-13H2,1H3/b20-14-
InChI Key:
QDLASEKCTCQBCX-ZHZULCJRSA-N
SMILES:
COCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)F)c2ccccc2)/C1=O
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
453.098g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
453.55g/mol
Monoisotopic Mass:
453.098g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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