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312601-82-4 | 3-(1-Methylethyl)-5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-Thiazolidinone
CAS No: 312601-82-4 Catalog No: AG01EUUX MDL No:
Product Description
Catalog Number:
AG01EUUX
Chemical Name:
3-(1-Methylethyl)-5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-Thiazolidinone
CAS Number:
312601-82-4
Molecular Formula:
C23H21N3OS2
Molecular Weight:
419.5623
IUPAC Name:
(5Z)-5-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C23H21N3OS2/c1-15(2)26-22(27)20(29-23(26)28)13-18-14-25(19-7-5-4-6-8-19)24-21(18)17-11-9-16(3)10-12-17/h4-15H,1-3H3/b20-13-
InChI Key:
LOSNJXYUDYVLQS-MOSHPQCFSA-N
SMILES:
Cc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C(C)C)c1ccccc1
Properties
Complexity:
651
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
419.113g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.561g/mol
Monoisotopic Mass:
419.113g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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