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118384-10-4 | 2,4-Thiazolidinedione,5-[[2-(2-naphthalenylmethyl)-5-benzoxazolyl]methyl]-
CAS No: 118384-10-4 Catalog No: AG008179 MDL No:
Product Description
Catalog Number:
AG008179
Chemical Name:
2,4-Thiazolidinedione,5-[[2-(2-naphthalenylmethyl)-5-benzoxazolyl]methyl]-
CAS Number:
118384-10-4
Molecular Formula:
C22H16N2O3S
Molecular Weight:
388.4390
IUPAC Name:
5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C22H16N2O3S/c25-21-19(28-22(26)24-21)11-14-6-8-18-17(10-14)23-20(27-18)12-13-5-7-15-3-1-2-4-16(15)9-13/h1-10,19H,11-12H2,(H,24,25,26)
InChI Key:
FQCUYGFIIAZMLU-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(S1)Cc1ccc2c(c1)nc(o2)Cc1ccc2c(c1)cccc2
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.088g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.441g/mol
Monoisotopic Mass:
388.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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