956994-88-0
Product Name:
(12aS)-6-(4-ethoxy-3-methoxyphenyl)-2-(2-hydroxy-2-phenylethyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
Formula:
C31H31N3O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 525.6 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 525.22637110 g/mol |
| Monoisotopic Mass | 525.22637110 g/mol |
| Topological Polar Surface Area | 95.1 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 880 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |