956990-81-1
Product Name:
(12aS)-6-(4-bromophenyl)-2-(sec-butyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
Formula:
C24H24BrN3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 466.4 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 465.10519 g/mol |
| Monoisotopic Mass | 465.10519 g/mol |
| Topological Polar Surface Area | 56.4 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 679 |
| 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 |