956966-98-6
Product Name:
N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxopentan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
Formula:
C25H31N3O6
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COMPUTED DESCRIPTORS
| Molecular Weight | 469.5 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 469.22128572 g/mol |
| Monoisotopic Mass | 469.22128572 g/mol |
| Topological Polar Surface Area | 98.4 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 708 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |