618363-89-6
Product Name:
3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylazaniumyl)propyl]-2-(furan-2-yl)-5-oxo-2H-pyrrol-4-olate
Formula:
C22H22N2O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 394.4 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 394.15287181 g/mol |
| Monoisotopic Mass | 394.15287181 g/mol |
| Topological Polar Surface Area | 87.1 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 676 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |