586991-30-2
Product Name:
(E)-3-((3-allyl-2-hydroxybenzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
Formula:
C21H18N4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 374.4 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 374.13789045 g/mol |
| Monoisotopic Mass | 374.13789045 g/mol |
| Topological Polar Surface Area | 90.3 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 652 |
| 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 |