858769-34-3
Product Name:
(5E)-5-[[(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)methylamino]methylidene]-1-methyl-6-oxo-2-sulfanylidenepyrimidin-4-olate
Formula:
C19H22N4O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 418.5 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 418.13109099 g/mol |
| Monoisotopic Mass | 418.13109099 g/mol |
| Topological Polar Surface Area | 128 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 744 |
| 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 |