339340-03-3
Product Name:
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-5-phenyltriazole-4-carboxamide
Formula:
C18H12BrFN8O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 471.2 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 470.02506 g/mol |
| Monoisotopic Mass | 470.02506 g/mol |
| Topological Polar Surface Area | 137 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 625 |
| 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 |