1422138-23-5
Product Name:
rel-(3aS,8aR)-1-(methylsulfonyl)-N-phenyldecahydropyrrolo[2,3-d]azepine-3a-carboxamide
Formula:
C16H23N3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 337.4 g/mol |
|---|---|
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 337.14601278 g/mol |
| Monoisotopic Mass | 337.14601278 g/mol |
| Topological Polar Surface Area | 86.9 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 539 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |