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648449-80-3 | 2,4-Thiazolidinedione, 5-(6-quinolinylmethylene)-
CAS No: 648449-80-3 Catalog No: AG006SIN MDL No:
Product Description
Catalog Number:
AG006SIN
Chemical Name:
2,4-Thiazolidinedione, 5-(6-quinolinylmethylene)-
CAS Number:
648449-80-3
Molecular Formula:
C13H8N2O2S
Molecular Weight:
256.2798
IUPAC Name:
5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C13H8N2O2S/c16-12-11(18-13(17)15-12)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-7H,(H,15,16,17)
InChI Key:
CBNBVOIOQAFDLQ-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=Cc2ccc3c(c2)cccn3)S1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.279g/mol
Monoisotopic Mass:
256.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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