951945-11-2
Product Name:
(2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-methyl-3-oxo-1-benzofuran-6-olate
Formula:
C25H25BrN2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 497.4 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 496.09977 g/mol |
| Monoisotopic Mass | 496.09977 g/mol |
| Topological Polar Surface Area | 66.2 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 725 |
| 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 |