957042-77-2
Product Name:
(1S,3aR,6aS)-1-(2-methylsulfanylethyl)-5-phenylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
Formula:
C22H21N3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 407.5 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 407.13036271 g/mol |
| Monoisotopic Mass | 407.13036271 g/mol |
| Topological Polar Surface Area | 104 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 709 |
| 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 |