842976-32-3
Product Name:
4-[(E)-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)triazole-4-carbonyl]hydrazinylidene]methyl]-2-methoxyphenolate
Formula:
C21H20N8O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 464.4 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 8 |
| Exact Mass | 464.15566577 g/mol |
| Monoisotopic Mass | 464.15566577 g/mol |
| Topological Polar Surface Area | 176 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 694 |
| 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 |