858762-55-7
Product Name:
(5Z)-5-[[(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)methylamino]methylidene]-1-(4-methoxyphenyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate
Formula:
C25H26N4O6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 510.6 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 510.15730574 g/mol |
| Monoisotopic Mass | 510.15730574 g/mol |
| Topological Polar Surface Area | 137 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 907 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |