836652-39-2
Product Name:
11-(4-chloro-3-nitrophenyl)-3-isobutyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
Formula:
C22H17ClN6O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 448.9 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 448.1050661 g/mol |
| Monoisotopic Mass | 448.1050661 g/mol |
| Topological Polar Surface Area | 109 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 775 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |