799803-05-7
Product Name:
3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-8-bromo-2-methyl-5H-pyrimido[5,4-b]indol-4-one
Formula:
C19H13BrN4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 425.2 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 424.01710 g/mol |
| Monoisotopic Mass | 424.01710 g/mol |
| Topological Polar Surface Area | 79.3 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 671 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |