896597-58-3
Product Name:
(2Z)-7-[[bis(2-methoxyethyl)azaniumyl]methyl]-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-1-benzofuran-6-olate
Formula:
C21H25NO5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 403.5 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 403.14534407 g/mol |
| Monoisotopic Mass | 403.14534407 g/mol |
| Topological Polar Surface Area | 96.5 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 549 |
| 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 |