842965-72-4
Product Name:
methyl 4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoate
Formula:
C21H18N8O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 446.4 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 446.14510109 g/mol |
| Monoisotopic Mass | 446.14510109 g/mol |
| Topological Polar Surface Area | 163 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 708 |
| 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 |