19977-09-4
Product Name:
Theophylline, 7-(2-benzoyloxy-3-(4-benzyl-1-piperazinyl)propyl)-
Formula:
C28H32N6O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 516.6 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 516.24850352 g/mol |
| Monoisotopic Mass | 516.24850352 g/mol |
| Topological Polar Surface Area | 91.2 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 837 |
| 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 |