956940-96-8
Product Name:
1-benzyl-5-(4-ethoxybenzyl)-5-(((1R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Formula:
C32H34N4O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 554.6 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 554.25292020 g/mol |
| Monoisotopic Mass | 554.25292020 g/mol |
| Topological Polar Surface Area | 99.3 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 1110 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |