1041389-28-9
Product Name:
Nelfinavir Related Compound A (15 mg) ((3S,4aS,8aS)-N-tert-Butyl-2-[(2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(phenylsulfinyl)butyl]decahydroisoquinoline-3-carboxamide)
Formula:
C32H45N3O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 583.8 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 10 |
| Exact Mass | 583.30799272 g/mol |
| Monoisotopic Mass | 583.30799272 g/mol |
| Topological Polar Surface Area | 138 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 904 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |