477853-79-5
Product Name:
1-[3a,11c-Dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl]-2-(4-benzhydrylpiperazino)-1-ethanone
Formula:
C33H33N3O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 519.6 g/mol |
|---|---|
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 519.25219192 g/mol |
| Monoisotopic Mass | 519.25219192 g/mol |
| Topological Polar Surface Area | 45.2 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 801 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |