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6605-21-6 | 4-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-thiazolidin-3-yl]-N-(2,4,6-trimethylphenyl)butanamide
CAS No: 6605-21-6 Catalog No: AG00H8RJ MDL No:
Product Description
Catalog Number:
AG00H8RJ
Chemical Name:
4-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-thiazolidin-3-yl]-N-(2,4,6-trimethylphenyl)butanamide
CAS Number:
6605-21-6
Molecular Formula:
C24H26N2O2S2
Molecular Weight:
438.6054
IUPAC Name:
4-[5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2,4,6-trimethylphenyl)butanamide
InChI:
InChI=1S/C24H26N2O2S2/c1-15-7-9-19(10-8-15)14-20-23(28)26(24(29)30-20)11-5-6-21(27)25-22-17(3)12-16(2)13-18(22)4/h7-10,12-14H,5-6,11H2,1-4H3,(H,25,27)
InChI Key:
UIIVXJLNYZUOJD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)/C=C\1/SC(=S)N(C1=O)CCCC(=O)Nc1c(C)cc(cc1C)C
Properties
Complexity:
673
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.144g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
438.604g/mol
Monoisotopic Mass:
438.144g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.6
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