956998-70-2
Product Name:
(12aS)-6-(3-bromophenyl)-2-(3-isopropoxypropyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
Formula:
C26H28BrN3O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 510.4 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 509.13140 g/mol |
| Monoisotopic Mass | 509.13140 g/mol |
| Topological Polar Surface Area | 65.6 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 734 |
| 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 |