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313049-95-5 | 5-[[3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-4--yl]methylene]-3-(2-phenylethyl)-2-thioxo-4-thiazolidinone
CAS No: 313049-95-5 Catalog No: AG01F2NN MDL No:
Product Description
Catalog Number:
AG01F2NN
Chemical Name:
5-[[3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-4--yl]methylene]-3-(2-phenylethyl)-2-thioxo-4-thiazolidinone
CAS Number:
313049-95-5
Molecular Formula:
C28H23N3OS2
Molecular Weight:
481.6317
IUPAC Name:
(5Z)-5-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C28H23N3OS2/c1-20-12-14-22(15-13-20)26-23(19-31(29-26)24-10-6-3-7-11-24)18-25-27(32)30(28(33)34-25)17-16-21-8-4-2-5-9-21/h2-15,18-19H,16-17H2,1H3/b25-18-
InChI Key:
UYRNFSNCTHQEKZ-BWAHOGKJSA-N
SMILES:
Cc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCc1ccccc1)c1ccccc1
Properties
Complexity:
751
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
481.128g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
481.632g/mol
Monoisotopic Mass:
481.128g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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