956988-99-1
Product Name:
(8S,8aR,11aS)-10-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-(3-nitrobenzoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Formula:
C29H21N3O7
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COMPUTED DESCRIPTORS
| Molecular Weight | 523.5 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 523.13795002 g/mol |
| Monoisotopic Mass | 523.13795002 g/mol |
| Topological Polar Surface Area | 122 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 1070 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |