94051-80-6
Product Name:
4-(4-BROMOPHENYL)-2-(3-METHYL-5-OXO-1-PHENYL(2-PYRAZOLIN-4-YL))-4-OXOBUTANOIC ACID
Formula:
C20H17BrN2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 429.3 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 428.03717 g/mol |
| Monoisotopic Mass | 428.03717 g/mol |
| Topological Polar Surface Area | 87 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 622 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |