929853-56-5
Product Name:
4-[(5E)-4-oxo-5-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Formula:
C18H14N2O6S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 418.4 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 418.02932852 g/mol |
| Monoisotopic Mass | 418.02932852 g/mol |
| Topological Polar Surface Area | 166 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 986 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |