2696257-58-4
Product Name:
7aH-Pyrrolo[3,4-c]pyridine-7a-carboxylic acid, octahydro-5-[(4-methylphenyl)sulfonyl]-2-(phenylmethyl)-, methyl ester, (3aR,7aR)-rel-
Formula:
C23H28N2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 428.5 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 428.17697855 g/mol |
| Monoisotopic Mass | 428.17697855 g/mol |
| Topological Polar Surface Area | 75.3 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 707 |
| 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 |