956448-23-0
Product Name:
(11aR)-2-[2-(4-methoxyphenyl)ethyl]-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinoline-1,4-dione
Formula:
C21H22N2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 350.4 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 350.16304257 g/mol |
| Monoisotopic Mass | 350.16304257 g/mol |
| Topological Polar Surface Area | 49.8 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 529 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |