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648449-87-0 | 2,4-Thiazolidinedione, 5-[[4-(4-morpholinyl)-6-quinazolinyl]methylene]-
CAS No: 648449-87-0 Catalog No: AG006SIL MDL No:
Product Description
Catalog Number:
AG006SIL
Chemical Name:
2,4-Thiazolidinedione, 5-[[4-(4-morpholinyl)-6-quinazolinyl]methylene]-
CAS Number:
648449-87-0
Molecular Formula:
C16H14N4O3S
Molecular Weight:
342.3724
IUPAC Name:
5-[(4-morpholin-4-ylquinazolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C16H14N4O3S/c21-15-13(24-16(22)19-15)8-10-1-2-12-11(7-10)14(18-9-17-12)20-3-5-23-6-4-20/h1-2,7-9H,3-6H2,(H,19,21,22)
InChI Key:
PVGOGHSJTSKOGI-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=Cc2ccc3c(c2)c(ncn3)N2CCOCC2)S1
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.079g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.373g/mol
Monoisotopic Mass:
342.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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