309926-09-8
Product Name:
4-[5-(4-BROMOPHENYL)-3-(4-METHYLPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-4-OXOBUTANOIC ACID
Formula:
C20H19BrN2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 415.3 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 414.05791 g/mol |
| Monoisotopic Mass | 414.05791 g/mol |
| Topological Polar Surface Area | 70 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 549 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |