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324544-18-5 | 3-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-5-[(3-methyl-2-thienyl) methylene]-2-thioxo-4-thiazolidinone
CAS No: 324544-18-5 Catalog No: AG01EUX1 MDL No:MFCD01458383
Product Description
Catalog Number:
AG01EUX1
Chemical Name:
3-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-5-[(3-methyl-2-thienyl) methylene]-2-thioxo-4-thiazolidinone
CAS Number:
324544-18-5
Molecular Formula:
C20H17N3O2S3
Molecular Weight:
427.5629
MDL Number:
MFCD01458383
IUPAC Name:
(5Z)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C20H17N3O2S3/c1-12-9-10-27-15(12)11-16-18(24)22(20(26)28-16)17-13(2)21(3)23(19(17)25)14-7-5-4-6-8-14/h4-11H,1-3H3/b16-11-
InChI Key:
UEATZPFCOWJWHA-WJDWOHSUSA-N
SMILES:
S=C1S/C(=C\c2sccc2C)/C(=O)N1c1c(C)n(n(c1=O)c1ccccc1)C
Properties
Complexity:
773
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
427.048g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
427.555g/mol
Monoisotopic Mass:
427.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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