880392-19-8
Product Name:
4-(4-bromophenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Formula:
C22H22BrN3O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 456.3 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 455.08445 g/mol |
| Monoisotopic Mass | 455.08445 g/mol |
| Topological Polar Surface Area | 89.4 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 586 |
| 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 |