1401544-51-1
Product Name:
N-(2,2-dimethyloxan-4-yl)-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide
Formula:
C23H25N3O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 391.5 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 391.18959167 g/mol |
| Monoisotopic Mass | 391.18959167 g/mol |
| Topological Polar Surface Area | 71.5 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 660 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |