213135-53-6
Product Name:
(3S,4AS,8AS)-2-CARBOBENZYLOXY-DECAHYDRO-N-(2-HYDROXY-1,1-DIMETHYLETHYL)-3-ISOQUINOLINECARBOXAMIDE
Formula:
C22H32N2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 388.5 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 388.23620751 g/mol |
| Monoisotopic Mass | 388.23620751 g/mol |
| Topological Polar Surface Area | 78.9 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 545 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |