728927-66-0
Product Name:
11-(3-bromophenyl)-10-methyl-8-(4-nitrophenyl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6(5H)-one
Formula:
C25H17BrN6O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 529.3 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 528.05455 g/mol |
| Monoisotopic Mass | 528.05455 g/mol |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 874 |
| 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 |