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88620-57-9 | 2-(4-chlorophenyl)-3-[2-(4-chlorophenyl)-5-methyl-4-oxo-thiazolidin-3-yl]-5-methyl-thiazolidin-4-one
CAS No: 88620-57-9 Catalog No: AG004C97 MDL No:
Product Description
Catalog Number:
AG004C97
Chemical Name:
2-(4-chlorophenyl)-3-[2-(4-chlorophenyl)-5-methyl-4-oxo-thiazolidin-3-yl]-5-methyl-thiazolidin-4-one
CAS Number:
88620-57-9
Molecular Formula:
C20H18Cl2N2O2S2
Molecular Weight:
453.4051
IUPAC Name:
2-(4-chlorophenyl)-3-[2-(4-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-5-methyl-1,3-thiazolidin-4-one
InChI:
InChI=1S/C20H18Cl2N2O2S2/c1-11-17(25)23(19(27-11)13-3-7-15(21)8-4-13)24-18(26)12(2)28-20(24)14-5-9-16(22)10-6-14/h3-12,19-20H,1-2H3
InChI Key:
UMPDCULZMZTSGP-UHFFFAOYSA-N
SMILES:
CC1SC(N(C1=O)N1C(=O)C(SC1c1ccc(cc1)Cl)C)c1ccc(cc1)Cl
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.019g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
453.396g/mol
Monoisotopic Mass:
452.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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