956915-53-0
Product Name:
methyl 4-((12aS)-1,4-dioxo-2-pentyl-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl)benzoate
Formula:
C27H29N3O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 459.5 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 459.21580641 g/mol |
| Monoisotopic Mass | 459.21580641 g/mol |
| Topological Polar Surface Area | 82.7 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 780 |
| 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 |