859664-21-4
Product Name:
(2Z)-7-[(3-methylpiperidin-1-ium-1-yl)methyl]-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-6-olate
Formula:
C25H29NO6
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COMPUTED DESCRIPTORS
| Molecular Weight | 439.5 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 439.19948764 g/mol |
| Monoisotopic Mass | 439.19948764 g/mol |
| Topological Polar Surface Area | 77.5 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 683 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |