956976-51-5
Product Name:
(12aS)-2-hexyl-6-(4-methoxyphenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
Formula:
C27H31N3O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 445.6 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 445.23654186 g/mol |
| Monoisotopic Mass | 445.23654186 g/mol |
| Topological Polar Surface Area | 65.6 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 707 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |