956995-29-2
Product Name:
(12bS)-2-(3-butoxypropyl)-7-(3-methoxy-4-propoxyphenyl)-12b-methyl-2,3,6,7-tetrahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4(12H,12bH)-dione
Formula:
C32H41N3O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 547.7 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 12 |
| Exact Mass | 547.30462142 g/mol |
| Monoisotopic Mass | 547.30462142 g/mol |
| Topological Polar Surface Area | 84.1 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 872 |
| 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 |