858765-56-7
Product Name:
(5E)-1-butyl-5-[[(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)methylamino]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate
Formula:
C22H28N4O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 460.5 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 460.17804118 g/mol |
| Monoisotopic Mass | 460.17804118 g/mol |
| Topological Polar Surface Area | 128 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 790 |
| 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 |