898922-83-3
Product Name:
2-(4-(dimethylamino)phenyl)-4-imino-4,6,7,10,11,12-hexahydro-[1,4]dioxepino[2,3-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Formula:
C25H24N4O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 412.5 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 412.18992602 g/mol |
| Monoisotopic Mass | 412.18992602 g/mol |
| Topological Polar Surface Area | 72.6 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 830 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |