845659-92-9
Product Name:
3-(sec-butyl)-11-(2,5-dimethoxyphenyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
Formula:
C25H25N5O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 443.5 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 443.19573968 g/mol |
| Monoisotopic Mass | 443.19573968 g/mol |
| Topological Polar Surface Area | 81.8 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 762 |
| 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 |