76536-65-7
Product Name:
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-((2, 4,6-trimethylphenyl)amino)-, hydrochloride, hydrate (1:1:2)
Formula:
C23H25N3O3.ClH.2H2O
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COMPUTED DESCRIPTORS
| Molecular Weight | 427.9 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 427.1662694 g/mol |
| Monoisotopic Mass | 427.1662694 g/mol |
| Topological Polar Surface Area | 63.2 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 679 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |