883951-25-5
Product Name:
1-[4-(1-azepanylsulfonyl)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1(2H)-isoquinolinylidene)ethanone
Formula:
C25H30N2O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 470.6 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 470.18754324 g/mol |
| Monoisotopic Mass | 470.18754324 g/mol |
| Topological Polar Surface Area | 93.3 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 792 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |