378770-87-7
Product Name:
5-[3-(4-BROMOPHENYL)-5-(2-METHOXYPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-5-OXOPENTANOIC ACID
Formula:
C21H21BrN2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 445.3 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 444.06847 g/mol |
| Monoisotopic Mass | 444.06847 g/mol |
| Topological Polar Surface Area | 79.2 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 589 |
| 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 |