956936-39-3
Product Name:
3-((1'R,3'S,3a'S,6a'R)-5'-benzyl-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid
Formula:
C23H21N3O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 419.4 g/mol |
|---|---|
| XLogP3 | -1.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 419.14812078 g/mol |
| Monoisotopic Mass | 419.14812078 g/mol |
| Topological Polar Surface Area | 116 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 794 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |