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86427-41-0 | 4-Thiazolidinone,3-[(2,4-dimethylphenyl)methyl]-2-(1H-indol-3-yl)-
CAS No: 86427-41-0 Catalog No: AG004NLK MDL No:
Product Description
Catalog Number:
AG004NLK
Chemical Name:
4-Thiazolidinone,3-[(2,4-dimethylphenyl)methyl]-2-(1H-indol-3-yl)-
CAS Number:
86427-41-0
Molecular Formula:
C20H20N2OS
Molecular Weight:
336.4506
IUPAC Name:
3-[(2,4-dimethylphenyl)methyl]-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C20H20N2OS/c1-13-7-8-15(14(2)9-13)11-22-19(23)12-24-20(22)17-10-21-18-6-4-3-5-16(17)18/h3-10,20-21H,11-12H2,1-2H3
InChI Key:
CDWNKXZSLWXELA-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)CN1C(=O)CSC1c1c[nH]c2c1cccc2
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.13g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.453g/mol
Monoisotopic Mass:
336.13g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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