849008-98-6
Product Name:
4-[(E)-N-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)triazole-4-carbonyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenolate
Formula:
C21H18N8O6
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COMPUTED DESCRIPTORS
| Molecular Weight | 478.4 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 6 |
| Exact Mass | 478.13493032 g/mol |
| Monoisotopic Mass | 478.13493032 g/mol |
| Topological Polar Surface Area | 185 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 791 |
| 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 |