19977-11-8
Product Name:
7-(2-Benzoyloxy-3-(4-(o-chlorobenzyl)-1-piperazinyl)propyl)theophyllin e
Formula:
C28H31ClN6O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 551.0 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 550.2095312 g/mol |
| Monoisotopic Mass | 550.2095312 g/mol |
| Topological Polar Surface Area | 91.2 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 880 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |