105522-56-3
Product Name:
8-(Hexahydro-1H-azepin-1-yl)-3,7-dihydro-3-methyl-7-(2-phenoxyethyl)-1 H-purine-2,6-dione
Formula:
C20H25N5O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 383.4 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 383.19573968 g/mol |
| Monoisotopic Mass | 383.19573968 g/mol |
| Topological Polar Surface Area | 79.7 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 560 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |